smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 13803890 BKAFXWBJWBYVIW-UHFFFAOYSA-N 428.920 3.740 5 1 IHBF Cc1ccc(-c2nnc(SCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)n2C)cc1 586965877 TYQCRXJWCXNKBA-UHFFFAOYSA-N 425.430 3.776 5 1 IHBF CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13559485 JYIHYGBCNAMGBZ-IBGZPJMESA-N 440.374 3.975 5 1 IHBF COc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149199 UAQOGUSWRUIWEW-UHFFFAOYSA-N 447.495 3.951 5 1 IHBF CCN(CC)CCNc1ccc(CN(C)S(C)(=O)=O)c2sc3ccccc3c(=O)c12 101467569 OPNZFYJNNMAEFX-UHFFFAOYSA-N 447.626 3.560 5 1 IHBF O=C(NC[C@H]1CCCN(c2nc3ccccc3o2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473105938 UPZIOMADLFIXFM-CQSZACIVSA-N 447.451 3.636 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748472 VANZRVQQMCENIJ-NSPYISDASA-N 437.265 3.837 5 1 IHBF C[C@]1(CN2CCc3nc(-c4ccc(Cl)c(F)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857600067 DCGBIVZGCRPFPZ-NRFANRHFSA-N 443.866 3.855 5 1 IHBF CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82150124 MQIWIRNQQIUGAU-UHFFFAOYSA-N 435.484 3.807 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 586955396 WYOUXGASLDGVAP-UHFFFAOYSA-N 437.481 3.588 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587748596 AFONVXNNSZKYML-NIMIVCTDSA-N 447.260 3.676 5 1 IHBF O=[N+]([O-])c1ccc([C@@]2(c3ccc(C4OCCO4)s3)NCCc3nc4ccccn4c32)cc1 962984537 DKUCPKAWHCERJN-QHCPKHFHSA-N 448.504 3.787 5 1 IHBF O=C1C[C@@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 587002917 IAEFVKJBAZJNLR-MRVPVSSYSA-N 447.201 3.777 5 1 IHBF CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C(C)=O)C(=O)Nc1c(C)cccc1C 205861324 JFLIUKBIZAWEEB-HSZRJFAPSA-N 439.512 3.979 5 3 IHBF NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(Cl)nc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263399 SWSCETKJQJAGJR-UHFFFAOYSA-N 435.271 3.656 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 587750587 IXKPMXGDLKJRFD-MGNBDDOMSA-N 435.253 3.958 5 1 IHBF O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ncc([N+](=O)[O-])s1 1857748209 HVCQOMPSLPQUDW-UHFFFAOYSA-N 447.498 3.623 5 1 IHBF Cc1cc(C)n2nc(SCc3nnc(SCc4ccc([N+](=O)[O-])cc4)o3)nc2n1 40413007 DMRBVTCHYBRKSK-UHFFFAOYSA-N 429.487 3.617 5 1 IHBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 82083029 VQZISPUAQBBVON-AWEZNQCLSA-N 428.514 3.843 5 1 IHBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@@H]2CC[C@@H]1N2C 169345432 QJUBSTXVPSUGAE-KRXQYRFLSA-N 431.470 3.971 5 1 IHBF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 169689025 WQWUYZREAVFCOK-WOJBJXKFSA-N 445.387 3.794 5 1 IHBF O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1Cl 586956212 ZPXWNMUCPLABIL-UHFFFAOYSA-N 427.269 3.839 5 1 IHBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1cccc2ccccc12 40393687 WMAHWCXOZKUBEG-UHFFFAOYSA-N 446.551 3.961 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587851894 YBEPLTLZVHFYGW-HUTHGQBESA-N 443.294 3.524 5 1 IHBF C[C@](O)(COc1ccc(F)c(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13580985 FHUJARKVZGDYQK-INIZCTEOSA-N 438.280 3.799 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 587265521 VNEDXFJEMCTQGP-CLAHSXSESA-N 441.322 3.812 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@](COc3ccccc3[N+](=O)[O-])(c3ccccc3)c3cccc1c32 963024797 LZLZEUYNYUBLAK-CRICUBBOSA-N 429.476 3.971 5 1 IHBF CCN(C)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 82150338 JEZKOGGCERSMEW-UHFFFAOYSA-N 435.484 3.807 5 1 IHBF CCOc1cc(C2=NC(=O)N[C@H](c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702743 LKXNUQOYPKPZLK-SJLPKXTDSA-N 441.469 3.532 5 1 IHBF C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12 29127542 GHDSEDNFPONYAJ-OBMJPTGESA-N 445.269 3.958 5 1 IHBF C[C@]12CC[C@H]([N+](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O 95563598 SBFYZJRWOSILAW-XVNATOMISA-N 434.709 3.920 5 1 IHBF NC(=O)c1cc([N+](=O)[O-])cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12 114343046 NWCVETNDCNXQME-UHFFFAOYSA-N 425.754 3.921 5 1 IHBF CN(C)CCCOc1c(Br)cc(CC[N+](C)(C)O)cc1Br 169352654 PIDQPQWGMXXEHS-UHFFFAOYSA-N 425.185 3.550 5 1 IHBF COCCNc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587261781 IWGMQWAEYCDSOQ-UHFFFAOYSA-N 435.234 3.657 5 1 IHBF CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 72120601 FQZDWXNVMYHDFJ-SFTDATJTSA-N 444.509 3.855 5 3 IHBF C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@@H]6C[C@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3C[N+]2([O-])C1 95912505 BBAXNNBTFRECAH-YCYFLLHPSA-N 447.660 3.691 5 1 IHBF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6CC(=O)CC[C@]6(C)[C@H]5C[C@@]4(O)[C@@H]3C[N@@+]2([O-])C1 255207595 DSFUTSUKQSCJSJ-MWBNJLJHSA-N 445.644 3.899 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccnc(Br)c2[nH]1 587264787 SWKHQTQGCMSTOA-SECBINFHSA-N 435.234 3.980 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 587576373 ODRVVKUCBQXVSF-XUZZJYLKSA-N 448.431 3.840 5 1 IHBF Nc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 299855478 BDRCYQNCRYTWTB-UHFFFAOYSA-N 444.451 3.769 5 1 IHBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c3ccccc3c3ccccc3c2[nH]1 587271806 HKZOXMCOTINRAI-VXKWHMMOSA-N 442.431 3.811 5 1 IHBF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3cccc1c32 963031948 RZPJZYFWJGRMLN-QKKBWIMNSA-N 433.493 3.679 5 1 IHBF CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)o1 1772633911 CCHWVUBITQTPDB-UHFFFAOYSA-N 439.493 3.932 5 1 IHBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2oc2ccc3ccccc3c24)C1 13781602 TXLRBFMVGQVAMM-ZDUSSCGKSA-N 431.423 3.727 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587050197 WAWQXXLQEHOZSX-UHFFFAOYSA-N 430.852 3.829 5 1 IHBF O=C(N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21)c1ccccc1 26733614 SVJHLCJVHXZAQK-UHFFFAOYSA-O 438.410 3.768 5 1 IHBF CC(=O)N1N=C(c2ccc(I)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 73195995 JKEQMFGSRIDQKT-AWEZNQCLSA-N 443.222 3.500 5 1 IHBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586924844 BEQVOBCJDWDQGP-UHFFFAOYSA-N 430.489 3.878 5 1 IHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473344 SGDGPRUIVXPSCO-BBATYDOGSA-N 445.424 3.820 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587850684 RLJNCZUWFGQWDY-VVVCHXIZSA-N 443.294 3.524 5 1 IHBF O=[N+]([O-])c1ccc(CO)c([S@@](=O)c2nc(-c3cnc4ccc(Cl)cn34)cs2)c1 28640419 MTPAGVJBMJGOMM-NDEPHWFRSA-N 434.886 3.678 5 1 IHBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2ccc(S(C)(=O)=O)cc12 587649336 RXYMWNRFTGEAIE-UHFFFAOYSA-N 425.260 3.923 5 1 IHBF C[C@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 26157151 WJZVXNUMZCRQMH-RXVVDRJESA-N 439.537 3.835 5 1 IHBF Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)c1 36152473 OMFUESMBFNGLKS-UHFFFAOYSA-N 432.893 3.880 5 1 IHBF Cc1c(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980326 VBZPCAYKJSMUHZ-UHFFFAOYSA-N 430.306 3.961 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)CN(C)C)c(C)c2c1 587620451 CANIGDSJMLTVSD-CYBMUJFWSA-N 446.529 3.859 5 1 IHBF C[C@]1(O)C[C@@H](c2nc(-c3ccc(C(=O)c4ccccc4)c([N+](=O)[O-])c3)c3c(=N)[nH]ccn32)C1 473153270 UTMHDTSVKOIUTP-ONEIWYMKSA-N 443.463 3.576 5 1 IHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587259973 LDTAJCWWRXIXTM-HRDYMLBCSA-N 445.111 3.748 5 1 IHBF COc1cccc(-n2nnc(-c3ccccc3NC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 1772658179 XSJNRWDVBNSPLV-UHFFFAOYSA-N 431.412 3.890 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 587746699 KGYJKQSCODVRTL-LBPRGKRZSA-N 435.297 3.921 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 587748890 BJVNFKDDULHLAX-MGNBDDOMSA-N 435.253 3.958 5 1 IHBF CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1OC 1551096 CQWVMEMMHNXWPV-UHFFFAOYSA-N 425.485 3.892 5 1 IHBF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccccc4[N+](=O)[O-])c3n2)CC1 40863351 PZFVMYNIJWGHAE-UHFFFAOYSA-N 446.433 3.921 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-] 586941642 UMBQEECMSCTQCJ-UHFFFAOYSA-N 446.432 3.690 5 1 IHBF CCOC(=O)c1cc(NC(=O)c2cccc(N)c2)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 27317100 CDMAYDWVMVDDEB-UHFFFAOYSA-N 448.435 3.858 5 1 IHBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)ccc1Cl 586963946 RVMVZXUFENFAKA-UHFFFAOYSA-N 443.876 3.651 5 1 IHBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCC2CC2)c([N+](=O)[O-])c1 13878861 JTFJDWQPBJWCRF-QFIPXVFZSA-N 446.507 3.845 5 3 IHBF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc(N)n2)cc1 28762035 ITORXQCBXOWTAQ-UHFFFAOYSA-N 447.495 3.586 5 1 IHBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572951 ANKGQCUZABSSEE-ZJSXRUAMSA-N 449.415 3.807 5 1 IHBF C[C@]1(c2cc([N+](=O)[O-])ccc2N)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963177347 IKNMMTFYHYNLRR-RDJZCZTQSA-N 429.782 3.712 5 1 IHBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 775531 ZJCATRYSRYXJGD-DZGCQCFKSA-N 447.488 3.598 5 1 IHBF CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 35919884 ACMVNXRJVDQYIR-UHFFFAOYSA-N 426.539 3.908 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])c(C)c1 587868506 NLGBKEDHUXPZSP-UHFFFAOYSA-N 436.346 3.908 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 587871139 BHSIBLAUZOEGLX-UHFFFAOYSA-N 435.415 3.929 5 1 IHBF CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(N)c3nc2c1N 29462344 QWVBCPIXQKIUTC-UHFFFAOYSA-N 439.604 3.994 5 1 IHBF O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccc(Cl)cc2)CC1 72106386 ZJXYDEOPAIESET-UHFFFAOYSA-N 433.943 3.810 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 586941994 YXXZPCTZHKATFC-UHFFFAOYSA-N 446.432 3.690 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 587264379 MRXYVWXVWWALRQ-UPONEAKYSA-N 427.204 3.615 5 1 IHBF O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2c(Br)cc(Br)cc21 28711815 SXWARTPFLUCWOQ-UHFFFAOYSA-N 440.047 3.849 5 1 IHBF CC[C@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82135736 LTTAUXARROEGTQ-AWEZNQCLSA-N 449.467 3.921 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587048829 AVOLKFOTNUIOGC-SREVYHEPSA-N 428.836 3.910 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 587265398 TYFOZHIQAUJLOB-ANRSDYALSA-N 425.323 3.932 5 1 IHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)CC2=O 587473570 XUNZUMORJMOLIG-JOCHJYFZSA-N 425.485 3.711 5 1 IHBF O=C(CSc1nnnn1-c1c(Cl)cccc1Cl)Nc1ccccc1[N+](=O)[O-] 33817052 IKTAMSAWIHAMIB-UHFFFAOYSA-N 425.257 3.608 5 1 IHBF COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 136086164 HSYDUYUHKVIGCQ-NHCUHLMSSA-N 432.432 3.996 5 1 IHBF COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]41)CC[C@H]1C[N+]4([O-])C[C@H](C)[C@H](CC[C@]12COC(C)=O)[C@H]34 238731372 LLPANJDVDSBMQI-XIVNYXLASA-N 429.557 3.588 5 1 IHBF Cc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3nc12 299859871 GAXMAOKIRDFXSY-UHFFFAOYSA-N 429.524 3.701 5 1 IHBF Cc1ccc2ncc3c(=O)n(CCCCN4CCN(c5ccccc5F)CC4)cnc3c2c1 72111441 IGNAAMPTNXPVJK-UHFFFAOYSA-N 445.542 3.995 5 1 IHBF O=C(N[C@@H](CO)CSCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084520 GEQYFQGTEFWOQH-HNNXBMFYSA-N 429.523 3.742 5 1 IHBF COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2c1 587269630 XAVMZJOSSOMPEO-UHFFFAOYSA-N 428.426 3.849 5 1 IHBF O=C(OCC[C@@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccc(OC(F)(F)F)cc1 473087897 MCDPJMBCYZJHPO-LBPRGKRZSA-N 431.323 3.585 5 1 IHBF CCOc1cc2oc(=O)c(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2cc1Br 586999512 DVTLTRABTVCLSB-UHFFFAOYSA-N 431.202 3.801 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1csc(-c3ccc(OC(F)(F)F)cc3)n1)C2 45253071 REWSOSLQFLWFHQ-ZDUSSCGKSA-N 442.375 3.791 5 1 IHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 962901727 KXKOFPCZAQOPDF-RDPSFJRHSA-N 446.438 3.695 5 1 IHBF COc1c(NS(=O)(=O)Cc2ccccc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857756865 UHPKVNXOFNKZCO-UHFFFAOYSA-N 441.461 3.611 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 587265017 RELSTECKUVIAKX-RCNPXXIZSA-N 427.751 3.845 5 1 IHBF CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cc([N+](=O)[O-])ccc12 587648523 GWENSFITZYEVSF-UHFFFAOYSA-N 427.413 3.611 5 1 IHBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(=O)O 587507158 AUZDYUDHOITFQX-GOSISDBHSA-N 427.409 3.652 5 1 IHBF CCN(CC)CCn1c(=O)c2c3cc4c(cc3ncc2c2cc(OC)c(OC)cc21)OCO4 28396163 AKWKSMIGDMSRNA-UHFFFAOYSA-N 449.507 3.791 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 587266083 YZTKGLYLRBQPCX-AYVTZFPOSA-N 436.222 3.676 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(OC(F)(F)F)cc3)c1)C2 66258848 AYZRZUGHZYDAJV-HNNXBMFYSA-N 436.346 3.730 5 1 IHBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OCC(=O)O 587507165 AUZDYUDHOITFQX-SFHVURJKSA-N 427.409 3.652 5 1 IHBF COc1ccc(CCN2C(=S)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1OC 2963620 TXMIREQOUMZOEL-IERDGZPVSA-N 429.498 3.585 5 1 IHBF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 26149052 DJJWXLVUVROWNW-RWALCNHGSA-N 441.524 3.815 5 1 IHBF O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135264 OREIDMKIMYMFTJ-UHFFFAOYSA-N 447.451 3.532 5 1 IHBF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)[C@H]1CCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 1857606014 MDZPKLDPAIRHGI-KRWDZBQOSA-N 438.440 3.667 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 587264315 LGQXFJDKXRQMOH-GLEZIHRCSA-N 441.322 3.812 5 1 IHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1 587274647 XRJAEHDYIUARTK-UHFFFAOYSA-N 434.172 3.962 5 1 IHBF c1ccc2c(NCc3cn(CCN4CCOCC4)nn3)c3oc4ccccc4c3nc2c1 1772590269 BKIICPKUPBWELU-UHFFFAOYSA-N 428.496 3.670 5 1 IHBF C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])c(OCCN5CCOCC5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 169353036 VFIZQJRUXOHSDI-JFDOVZFRSA-N 430.545 3.523 5 1 IHBF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 103276753 NUGZVYOVNXDMJO-UHFFFAOYSA-N 435.480 3.733 5 1 IHBF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](O)[C@@H]1O 14851795 MCPPOSAODOGSHG-KPHCOFNCSA-N 441.487 3.702 5 1 IHBF biogenic O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 587270317 VKBBRHFZLOJVCB-UHFFFAOYSA-N 430.367 3.812 5 1 IHBF O=C(NC1CCCC1)c1cc2c(=O)n3ccccc3nc2nc1NCCc1ccccc1 13519033 ZDPPTONSZIAYBP-UHFFFAOYSA-N 427.508 3.570 5 1 IHBF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)cc1 587266218 ZETZCAGTSMCCAG-DOPJRALCSA-N 437.452 3.802 5 1 IHBF COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587512472 OLWPZJULWJDRJU-GOSISDBHSA-N 427.409 3.652 5 1 IHBF CNC[C@@H]1Cc2cccc3c4c5c(c6c7ccc(F)cc7[nH]c6c4n(c23)C1)C(=O)NC5=O 14945622 URRKLWBDEXHZPU-NSHDSACASA-N 426.451 3.843 5 1 IHBF NCC1CCC(CNc2nc(NCc3ccccc3Br)ncc2[N+](=O)[O-])CC1 28898465 VTVIUYYZONFPMX-UHFFFAOYSA-N 449.353 3.936 5 1 IHBF C[C@]1(CN2CCc3nc(-c4cccc(Cl)c4F)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857607167 ZLPWNYCOPHDZNR-NRFANRHFSA-N 443.866 3.855 5 1 IHBF CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2c2c(O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)n23)cc1 169718530 AUVVLUUBOATATQ-PMACEKPBSA-N 448.479 3.737 5 1 IHBF COc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1 653787758 ULKBAYMOWDCKAG-OAQYLSRUSA-N 439.428 3.674 5 1 IHBF CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3n2)CC1 20108612 OAMLKUVWDTUDJX-UHFFFAOYSA-N 449.511 3.854 5 1 IHBF O=[N+]([O-])c1cccnc1N1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 64560502 NYYSRVGSIGKUFY-UHFFFAOYSA-N 426.908 3.816 5 1 IHBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(F)ccc2C(F)(F)F)CC1 653850181 PCUTXQIMCYWTDN-UHFFFAOYSA-N 426.370 3.757 5 1 IHBF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049439 YUXQIZGBEQGIOP-FPOVZHCZSA-N 444.919 3.798 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961452 ROLLMYZBTUAWGE-BVGQSLNGSA-N 427.486 3.561 5 1 IHBF COCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 82134347 UKXLEMKHDWQPLG-UHFFFAOYSA-N 427.505 3.810 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 587266082 YZTKGLYLRBQPCX-ANRSDYALSA-N 436.222 3.676 5 1 IHBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cc6ccccc6cc5oc2c34)C1 13781606 QULXAJAMUPGPBY-AWEZNQCLSA-N 431.423 3.727 5 1 IHBF O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(F)cc2)CC1 72105499 SWWFKUXTCFEIKY-UHFFFAOYSA-N 431.515 3.686 5 1 IHBF COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCCC3)c12 117804942 JMKXHWHMULJLQG-UHFFFAOYSA-N 431.448 3.553 5 1 IHBF O=[N+]([O-])c1cc(Br)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967406 WBTOKRINPPABJV-UHFFFAOYSA-N 433.247 3.971 5 1 IHBF O=[N+]([O-])c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587171642 SLFXFOWGIMGWJS-LJQANCHMSA-N 426.429 3.678 5 1 IHBF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)OC)cc1 1772571132 CFIQLCXVQHSYGU-OPAMFIHVSA-N 428.485 3.983 5 1 IHBF COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 103220862 RYSKWSXLEVFBOB-QGZVFWFLSA-N 440.301 3.610 5 1 IHBF COC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 587118433 NBQPRECLHCIQBO-UHFFFAOYSA-N 446.345 3.583 5 1 IHBF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])cn4ccnc14)[C@@H](C2)C3=O 587429264 ANLZNTRBEJYXRY-MHECFPHRSA-N 427.416 3.942 5 1 IHBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC2Cc3ccccc3C2)[C@H]1c1cccc([N+](=O)[O-])c1 169723560 RIFLJFURLDLFTB-GGAORHGYSA-N 448.475 3.927 5 1 IHBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572947 ANKGQCUZABSSEE-URXFXBBRSA-N 449.415 3.807 5 1 IHBF O=c1c2ccc(OCCN3CCCC3)cc2oc2cc(OCCN3CCCC3)cc(O)c12 1911581239 MIYYUTVRKWENFL-UHFFFAOYSA-N 438.524 3.601 5 1 IHBF C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@+]2([O-])C1 255197641 BBAXNNBTFRECAH-SJNKHTIJSA-N 447.660 3.691 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 587263479 AAOJHZAVKXPCKO-SREIQFSDSA-N 427.204 3.615 5 1 IHBF CS(=O)(=O)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690575 XDNLRNKGIKYYQK-OAHLLOKOSA-N 443.978 3.593 5 1 IHBF Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656727 LJSXYYWYCBUYEC-LBPRGKRZSA-N 439.378 3.656 5 1 IHBF Cc1cnc([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963200009 WVDSSWNDJOGACH-PIGZYNQJSA-N 429.782 3.833 5 1 IHBF O=C(NCC1CC1)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477350 QGWQIAHBCCEFCL-HXUWFJFHSA-N 445.479 3.791 5 3 IHBF Cc1c(I)cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587183451 ZIRHYFUMEKEWGH-ZETCQYMHSA-N 431.621 3.843 5 1 IHBF N[C@@H](CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271032 XMCPXKQEOCQBHY-ZDUSSCGKSA-N 425.342 3.528 5 1 IHBF COC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(OC)c3)nc2c1 587263276 PRQVCWLPSPYIFA-UHFFFAOYSA-N 436.218 3.608 5 1 IHBF CN(C)CCCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12 1772584732 JTHMBWYCTGJVHH-UHFFFAOYSA-N 426.318 3.522 5 1 IHBF Cc1nn(C[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] 587660125 CIIUPHBLEDVUQC-CYBMUJFWSA-N 449.442 3.901 5 1 IHBF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6ccccc6c5oc2c34)C1 13781603 XEKVSFQOGQZWKU-CYBMUJFWSA-N 431.423 3.727 5 1 IHBF CCOC(=O)CCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[18F])ccc2n1C 102027990 HFDVDJLZRRQGEW-KVTPGWOSSA-N 427.423 3.759 5 1 IHBF COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 169321885 JGTHMINPALUEFJ-VWBWNGLSSA-N 445.475 3.625 5 1 IHBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091504 FOYUZGHKLFEZHQ-UHFFFAOYSA-N 435.116 3.568 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(C)=O 587871406 GSHKAZFKHKQYAP-UNOMPAQXSA-N 438.415 3.814 5 1 IHBF O=C(c1cc([N+](=O)[O-])c(F)c(F)c1F)c1c(CO)oc2cc(Br)cnc12 587275946 HPERXMWBZZKCHR-UHFFFAOYSA-N 431.120 3.639 5 1 IHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 587280243 PKBDWSPFSJARCM-CYBMUJFWSA-N 432.429 3.764 5 1 IHBF CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1cccc(OC)c1 1551098 VCBJKAQWKYWNIC-UHFFFAOYSA-N 425.485 3.892 5 1 IHBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)O2 26831998 CIDPJZSQXXPGQS-JWQCQUIFSA-N 447.487 3.990 5 1 IHBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cncc([N+](=O)[O-])c2)N1C(=O)c1ccccc1 963420577 WZCQWNJYAZUVDJ-UNMCSNQZSA-N 442.431 3.712 5 1 IHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587262401 RJHUPPQAWMGRHV-UHFFFAOYSA-N 429.376 3.695 5 1 IHBF COCCOc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1[N+](=O)[O-] 587265275 NXGGYJHOEYLGEO-UHFFFAOYSA-N 439.209 3.768 5 1 IHBF CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95598378 BXUWWYDCOXHWIF-INIZCTEOSA-N 430.442 3.755 5 1 IHBF C[C@@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586887978 ASPNSELKFPRIGA-LLVKDONJSA-N 430.416 3.768 5 1 IHBF O=C(NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O)NC1CCCCC1 103167153 XUOWHBFDZJVGJZ-UHFFFAOYSA-N 435.484 3.604 5 1 IHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587259807 IRERQRNECPNKER-VGMNWLOBSA-N 445.111 3.748 5 1 IHBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 963188170 VUMXHNQCADEYNG-IUODEOHRSA-N 440.765 3.603 5 1 IHBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CCCN12 169322071 BWZNUPNRUDEHSP-HLNWXESRSA-N 428.286 3.504 5 1 IHBF CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 28103722 LJDHPGBKAIDRDH-UHFFFAOYSA-N 449.507 3.791 5 1 IHBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 82135428 KGRFLDXXJIRAKO-JKSUJKDBSA-N 427.505 3.761 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926002 LRIRKMYKARDHEJ-UHFFFAOYSA-N 431.213 3.757 5 1 IHBF O=[N+]([O-])c1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587140549 CETHTPIXVAREFH-UHFFFAOYSA-N 431.380 3.612 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 587265016 RELSTECKUVIAKX-MDAAJZPYSA-N 427.751 3.845 5 1 IHBF CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc([N+](=O)[O-])cc1C 587868925 XCZOUJPJNYUUGM-ZDUSSCGKSA-N 438.366 3.677 5 1 IHBF O=C(CSc1nc(CN2CCCc3ccccc32)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1 72176372 BEOMEWJPRKIXDO-UHFFFAOYSA-N 436.493 3.606 5 1 IHBF Cc1nn([C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] 587656102 FQJUGHKMNRINOS-GFCCVEGCSA-N 439.378 3.656 5 1 IHBF COc1ccc(-c2nc(O)c3ccccc3n2)cc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 1857605403 JGUBVOSQMHLAEK-UHFFFAOYSA-N 446.419 3.937 5 1 IHBF COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCCOC(C)C)n2)cc1[N+](=O)[O-] 82195691 RVARTNYDMWEHAS-QGZVFWFLSA-N 448.545 3.627 5 1 IHBF C[C@@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)CCN1Cc1ccccc1 1857612518 WYKKBSQTROZFFV-CYBMUJFWSA-N 448.401 3.826 5 1 IHBF COC(=O)[C@@H](c1cc2c3c(cccc3n1)CC2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 587210465 CLIQKJJFANNDOA-UZUQRXQVSA-N 436.464 3.668 5 1 IHBF COc1cc2c3c(c1)O[C@]1(c4cc([N+](=O)[O-])ccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587431775 GIQZJHCINGKKCU-MHECFPHRSA-N 429.384 3.973 5 1 IHBF CCn1cc(Br)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)n1 587000846 LPIRAMWNNYEGSX-UHFFFAOYSA-N 429.072 3.803 5 1 IHBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 587623376 RKVMJYUMRGNOMP-UHFFFAOYSA-N 443.213 3.738 5 1 IHBF Cc1nn(C[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] 587660128 CIIUPHBLEDVUQC-ZDUSSCGKSA-N 449.442 3.901 5 1 IHBF CCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 29488235 XOROAUWQOKUAPS-UHFFFAOYSA-N 430.527 3.988 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 587268977 FULGNMBDHVMUMT-UHFFFAOYSA-N 430.262 3.648 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 587269678 LXZLDYADUZVARY-UHFFFAOYSA-N 445.273 3.959 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2 66258797 CAOKUKJHHBJUPD-HNNXBMFYSA-N 436.346 3.730 5 1 IHBF COCCOc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] 587264238 DYGZAFCSFGWNNV-UHFFFAOYSA-N 436.218 3.624 5 1 IHBF NC(=O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 13878846 DDCAEUZTHGGZME-LJQANCHMSA-N 444.919 3.878 5 3 IHBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1F 586946469 QOFIIUWXSZQVHH-UHFFFAOYSA-N 438.487 3.879 5 1 IHBF COc1cc([N+](=O)[O-])ccc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1 72178168 VMVUWNSSAKDRQU-VXPUYCOJSA-N 443.887 3.953 5 1 IHBF CN1C(=O)C[C@H]2CN[C@@](COc3ccccc3[N+](=O)[O-])(c3ccccc3)c3cccc1c32 963024798 LZLZEUYNYUBLAK-GKVSMKOHSA-N 429.476 3.971 5 1 IHBF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cc6ccccc6cc5oc2c34)C1 13781605 QULXAJAMUPGPBY-CQSZACIVSA-N 431.423 3.727 5 1 IHBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135307 WMCVAWSFGZYOOR-DLBZAZTESA-N 439.516 3.539 5 1 IHBF O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-] 5581847 XMAWITGDXLGXBE-OAHLLOKOSA-N 433.376 3.651 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 299861124 KLXSETXPGNIMQA-MRXNPFEDSA-N 425.495 3.636 5 1 IHBF Cc1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963240115 XXTSOWSIUOYCMD-ILBGXUMGSA-N 440.459 3.737 5 1 IHBF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)OC)cc1 1772618353 NNMRQNRFGULXPT-OPAMFIHVSA-N 428.485 3.983 5 1 IHBF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049553 YQFPUAHQLBVXSL-PZJWPPBQSA-N 427.457 3.620 5 1 IHBF C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C=NC4=O 98208313 NTKFEWALECAGOB-LROUJFHJSA-N 437.455 3.804 5 1 IHBF in-vitro O=C(O)C1=C(C(=O)O)N(c2ccncc2)C(c2ccco2)=C[C@H]1c1ccccc1[N+](=O)[O-] 102986505 XMAWITGDXLGXBE-HNNXBMFYSA-N 433.376 3.651 5 1 IHBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944851 YRMBUAUYEMXREI-UHFFFAOYSA-N 428.495 3.721 5 1 IHBF CCOC(=O)C1=C(C)N=C(Cn2ccnc2)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 27736633 XTNTUTBUNSWCMR-ABDBUPHLSA-N 440.456 3.673 5 1 IHBF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587340587 WDSZAHSJUHHPCX-JIDYEGEHSA-N 443.427 3.653 5 1 IHBF Cc1ncc([N+](=O)[O-])n1CCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 1857772065 XUPMNSGMXNWXJN-UHFFFAOYSA-N 428.924 3.904 5 1 IHBF Cc1cc2nc3ccc(C(=O)NCCCCCC[n+]4ccccc4)cn3c(=O)c2cc1C 27525450 KYXBRCLEDQAIJS-UHFFFAOYSA-O 429.544 3.742 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])N(C)[C@H](C)C2 962619590 DSZFGEPVWJEPEQ-FATZIPQQSA-N 444.484 3.821 5 1 IHBF O=C(NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1 103178224 HCZAPQIILSGKMC-UHFFFAOYSA-N 429.436 3.793 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ncccc1[N+](=O)[O-])CC2 587572919 AITYLUHVIDNZJO-IBGZPJMESA-N 433.420 3.696 5 1 IHBF O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(=S)[nH]c2[nH]1)c1ccccc1 17190687 JOHWGEPCKGADCM-UVTDQMKNSA-N 434.437 3.557 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 587264671 PIHSXHMIJOLQNN-CLAHSXSESA-N 436.222 3.676 5 1 IHBF O=C1c2c(c3c4ccc(O)cc4[nH]c3c3cc4ccccc4cc23)C(=O)N1CCNCCO 28523221 NDVZIISZHISKAY-UHFFFAOYSA-N 439.471 3.511 5 1 IHBF CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C 82082504 CWHQXQXRXOFGLJ-GOSISDBHSA-N 449.529 3.833 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 587265042 RPBWHTPQHBRCSA-INWYIAFRSA-N 427.204 3.615 5 1 IHBF O=C(COc1ccc(F)cc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657860 BYQZIYJOZZFJOX-UHFFFAOYSA-N 437.358 3.969 5 1 IHBF CCCCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4 45496128 FZOFQSPHVMJGPR-UHFFFAOYSA-N 446.507 3.732 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4ccc(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262604 DITPDRNWZJZNHJ-UHFFFAOYSA-N 444.289 3.717 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 587264314 LGQXFJDKXRQMOH-AYVTZFPOSA-N 441.322 3.812 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587264419 RLJAIEIKKRRUNI-QMMMGPOBSA-N 425.323 3.583 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587574204 DSUUMYKZIPHNHG-SIKLNZKXSA-N 433.376 3.841 5 1 IHBF COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1ccccc1[N+](=O)[O-] 587622865 INAIBPVUYXSXEQ-UHFFFAOYSA-N 443.213 3.733 5 1 IHBF O=C(N[C@H](CSCc1ccccc1)C(=O)O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084518 OKRALUWTKXSRDI-MRXNPFEDSA-N 443.506 3.835 5 1 IHBF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 82148763 TTYHHVLOLMBKIK-UHFFFAOYSA-N 447.451 3.629 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)ncc2[nH]1 587261956 FKEGZOKUSWGNED-SECBINFHSA-N 435.234 3.980 5 1 IHBF COc1cc2c(cc1O)oc(=O)c1c2c(CN(C)C)c2c3cc(OC)c(O)cc3ccn21 138047785 YDQFOALXOXORAF-UHFFFAOYSA-N 434.448 3.842 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587748595 AFONVXNNSZKYML-KQBGUWBVSA-N 447.260 3.676 5 1 IHBF COc1cc(OC)c2c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 45506666 JYDHGEHFTYPISS-UHFFFAOYSA-N 448.498 3.570 5 1 IHBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl 13863136 OOCWNFXITFHVGC-JTQLQIEISA-N 433.269 3.566 5 1 IHBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@@H]2CC[C@H]1N2C 28136462 QJUBSTXVPSUGAE-BORJPKMPSA-N 431.470 3.971 5 1 IHBF O[C@@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@H](O)C6)c4)c3)CCC1CC2 71331700 NJMHXRYJKBZHDO-CZISBDIISA-N 434.624 3.556 5 1 IHBF CS(=O)(=O)N(COC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Oc1ccccc1 72181735 LHJBPQQXLJKNPO-UHFFFAOYSA-N 442.449 3.968 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587751300 LYVJQQREJDUOSN-MLCYQJTMSA-N 435.253 3.958 5 1 IHBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82136098 DHZZOIQZLLNKII-UHFFFAOYSA-N 447.495 3.551 5 1 IHBF COc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(OC)ccc43)nn2)cc1 1857631718 KDCYGUIFXSMAOQ-UHFFFAOYSA-N 426.476 3.860 5 1 IHBF CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(O)cc4c3c2c1=O 33964996 INLHJEQPNIOJHH-UHFFFAOYSA-N 429.432 3.756 5 1 IHBF COc1ccccc1/C(Cl)=C(/NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 72178382 HIPQNDSCOPCCGX-HNENSFHCSA-N 429.860 3.563 5 1 IHBF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)ccc1Cl 586963258 GNPGEWKPEALFPO-UHFFFAOYSA-N 443.876 3.651 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587261334 BBDWZFFURQIGGR-GFCCVEGCSA-N 426.429 3.524 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263166 NRABBCJVHJBRJR-UHFFFAOYSA-N 433.390 3.973 5 1 IHBF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)OC)cc1 1772635940 ORDSMCQODKDMKC-OPAMFIHVSA-N 428.485 3.983 5 1 IHBF CCN(CC)CCNc1ccc2c3c1sc1ccccc1c3nn2CCNCCO 29335496 NWIAIZYCMLSVJQ-UHFFFAOYSA-N 425.602 3.740 5 1 IHBF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)c([N+](=O)[O-])c3)C[C@@H]1O2 95556597 RQIONHPYUSEJFL-PCMMCCAGSA-N 426.469 3.932 5 1 IHBF Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] 587661970 VLAWHXQJVAVRAY-UHFFFAOYSA-N 435.415 3.655 5 1 IHBF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 1857640714 PCRGCILEQFHDCQ-UHFFFAOYSA-N 425.393 3.653 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587116405 FVIMWAIDLPDOBV-UHFFFAOYSA-N 448.155 3.504 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 587746353 JPXKZYZQGRPJFZ-YYSFKGJASA-N 439.237 3.583 5 1 IHBF O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Cl 586946043 QGRRUPFQGHFAGP-UHFFFAOYSA-N 438.874 3.925 5 1 IHBF 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430.683 3.964 5 1 IHBF CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2cc1Br 587000273 PRDOMOIKOYVIEZ-UHFFFAOYSA-N 431.202 3.801 5 1 IHBF O=C(N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)O)OCc1ccccc1 587203714 RTJBAZDGKKOQCW-QGZVFWFLSA-N 441.447 3.581 5 1 IHBF CCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 82148705 NFOZEULXIDWVNB-UHFFFAOYSA-N 449.467 3.923 5 1 IHBF CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 586985227 LUEXDXGGBBBVSD-GFCCVEGCSA-N 448.233 3.562 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccnc1-c1ccc(OC(F)(F)F)cc1)C2 1772580343 AIJKWDCJBLVTGU-HNNXBMFYSA-N 436.346 3.730 5 1 IHBF O=C(NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 84671920 RYNYTHPTWIAVTQ-IBGZPJMESA-N 443.872 3.557 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 587264920 QGBQVPVDRDHATM-RMLUDKJBSA-N 425.323 3.932 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587117879 XHIWGEQEIVOOOU-UHFFFAOYSA-N 449.143 3.714 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748471 VANZRVQQMCENIJ-JEOXALJRSA-N 437.265 3.837 5 1 IHBF C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@]4(O)[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N@+]2([O-])C1 255195982 APEQJZJTWYCFOX-AFDIDQBCSA-N 447.660 3.691 5 1 IHBF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587112555 LCKWMVWQTVIDAE-KRWDZBQOSA-N 437.334 3.798 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cncn3C)c(C)c2c1 587620923 KMBHKFDCXZUNEO-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 963191988 XSXLCMXYLDPNDZ-MLGOLLRUSA-N 440.765 3.832 5 1 IHBF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713668 LZFMDGSJHHMYKW-BZDHPDOMSA-N 449.573 3.613 5 3 IHBF O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73199954 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C[C@@H](c1cc(-c2ccc([N+](=O)[O-])cc2)no1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 1772616161 YLRNTGSSMOQAKY-YEJXKQKISA-N 441.394 3.811 5 1 IHBF COc1ccc2c(c1OC)C[N@+]1(CCCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857552121 FCHHZLSVSLAMCB-IBVKSMDESA-O 440.516 3.858 5 1 IHBF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 26149043 DJJWXLVUVROWNW-ZBQFJEEJSA-N 441.524 3.815 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 587389598 LUFQGKVQRGMCTF-QHCPKHFHSA-N 445.387 3.847 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587261335 BBDWZFFURQIGGR-LBPRGKRZSA-N 426.429 3.524 5 1 IHBF C[C@]1(C[C@H](C[N+](=O)[O-])c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668803 PVNSMKLRPUYMMP-BTZRARBUSA-N 433.508 3.999 5 1 IHBF O=C(CN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 49784060 WLAAJJZNAFKAMK-UHFFFAOYSA-N 425.492 3.907 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1 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XXTSOWSIUOYCMD-UKILVPOCSA-N 440.459 3.737 5 1 IHBF CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(Cl)cc2)c1=N 1857567219 ZMFRDXZLBYPVHH-UHFFFAOYSA-N 436.899 3.510 5 1 IHBF COc1c(NS(=O)(=O)c2ccc(C)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857643191 HBRDXXJZIVRHCS-UHFFFAOYSA-N 441.461 3.778 5 1 IHBF CCN(CC)CCn1ncc2ccc3c(c(=O)c4cccnc4n3CCN(CC)CC)c21 1638201 CUZKGQBVNAMXQJ-UHFFFAOYSA-N 434.588 3.583 5 1 IHBF COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587512473 OLWPZJULWJDRJU-SFHVURJKSA-N 427.409 3.652 5 1 IHBF C[C@@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1 115603057 FRXJIYQUHHMQRA-SFHVURJKSA-N 436.346 3.982 5 1 IHBF Cc1cnc([C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963200007 WVDSSWNDJOGACH-DIFFPNOSSA-N 429.782 3.833 5 1 IHBF O=C(O)c1cn2c3ccc4ccccc4c3oc3c(N4CCNCC4)c(F)cc(c1=O)c32 13781608 OFSSGQKADLOQFS-UHFFFAOYSA-N 431.423 3.599 5 1 IHBF CN(C)CCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 40401693 XXIDLBHGCBHNCF-FYYLOGMGSA-N 437.581 3.568 5 1 IHBF COc1ccc(CN=c2nc(O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)cc1OC 1857593853 BRMDCLVLEGPSSP-UHFFFAOYSA-N 425.319 3.579 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 587264921 QGBQVPVDRDHATM-RTHLEPHNSA-N 425.323 3.932 5 1 IHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 587576436 JAOWSNTXDOLLBY-DENIHFKCSA-N 433.376 3.841 5 1 IHBF CN(C(=O)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1N1CCCC1 27899120 QHFMXDHHBZOTRU-QZTJIDSGSA-N 429.439 3.858 5 1 IHBF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135585 BCMQFWZVMBROKO-UHFFFAOYSA-N 435.459 3.985 5 1 IHBF O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1 1857766469 ONXNRNIGCHXJJM-UHFFFAOYSA-N 435.480 3.733 5 1 IHBF COc1cc2c(=O)n([C@@H](C)CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 13649112 XYJIKVISVUAHKR-ZDUSSCGKSA-N 435.480 3.571 5 1 IHBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4206812 ZOMROAVDHGOVIW-AZUAARDMSA-N 445.859 3.985 5 1 IHBF CS(=O)(=O)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1 84690576 XDNLRNKGIKYYQK-HNNXBMFYSA-N 443.978 3.593 5 1 IHBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1ccco1 113050427 JRMJYEPVLGPSIV-SETCOJICSA-N 448.539 3.747 5 1 IHBF COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc([N+](=O)[O-])c3OC)nc2c1 587260979 NUYNPGJAQYNPLE-UHFFFAOYSA-N 436.218 3.704 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)O2 587372841 RNOASDYXYASTKG-INIZCTEOSA-N 447.245 3.792 5 1 IHBF CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 587667903 UTHWGKPXFHYVKE-UHFFFAOYSA-N 431.452 3.908 5 1 IHBF C[C@]1(CN2CCc3nc(-c4ccc(Cl)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857571409 YNKLZRBNHWUVIP-NRFANRHFSA-N 425.876 3.716 5 1 IHBF O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 40918517 RCRAYIPXTHUIJR-UHFFFAOYSA-N 435.528 3.539 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 115604323 QQLOFOVQUMKHPJ-GFCCVEGCSA-N 436.346 3.840 5 1 IHBF CCN(CC)CCNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 95921236 NBPRMWUQGSKNES-UHFFFAOYSA-N 427.910 3.661 5 1 IHBF in-vitro CCOc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 1772589930 SQEIFOFNHSSNEE-UHFFFAOYSA-N 430.424 3.889 5 1 IHBF O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCCNCC1 27634313 IMCYKTQPMMPDMI-UHFFFAOYSA-N 426.908 3.646 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 587264316 LGQXFJDKXRQMOH-VXJOIVPMSA-N 441.322 3.812 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587748594 AFONVXNNSZKYML-COYMSDOXSA-N 447.260 3.676 5 1 IHBF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)O)cc1 13445246 NZPDNKMDJILECK-NRFANRHFSA-N 434.448 3.625 5 1 IHBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091736 IBEPDDVWAUAVPH-UHFFFAOYSA-N 435.116 3.568 5 1 IHBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 82082811 PUVHULOZQMSECK-AWEZNQCLSA-N 428.514 3.843 5 1 IHBF Cc1nn(Cc2ccccc2-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267041 DLJBDPXPLSVHGK-UHFFFAOYSA-N 434.500 3.940 5 1 IHBF Cc1nn(Cc2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267302 IFQBIJPVJUBCSY-UHFFFAOYSA-N 446.511 3.832 5 1 IHBF CC1=C(c2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)NNC(=O)C1 587268966 FQOUMHLEJQGYOF-UHFFFAOYSA-N 426.436 3.956 5 1 IHBF CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc([N+](=O)[O-])cc1 28130194 HQDBCEUNKPQNFK-XPIZARPCSA-N 446.481 3.814 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CN1CCCCC1)CC2 35034044 VHBBZNDIEFVETG-XMMPIXPASA-N 439.512 3.572 5 1 IHBF Cc1c(Br)cnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587269752 OGMKIKHCIKDMQM-UHFFFAOYSA-N 444.289 3.957 5 1 IHBF CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 13559484 MTQMKPLSGRIFHX-SFHVURJKSA-N 426.347 3.585 5 1 IHBF COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccc4c(c3)OCO4)n2)cc(OC)c1OC 64503980 MMORSSDILAVTQN-UHFFFAOYSA-N 441.400 3.627 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587750577 IUGOKHMHRWUMJV-LMSVWVRUSA-N 447.260 3.676 5 1 IHBF C[C@@H]1COC2(CCN(c3cc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 103149531 MILAKFJGQVDHRT-SNVBAGLBSA-N 430.404 3.920 5 1 IHBF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 103219716 XFUQXGZFYAZAFI-KRWDZBQOSA-N 431.284 3.980 5 1 IHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587265482 FLQGNHLYXDOUQN-YFKPBYRVSA-N 431.718 3.966 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1F)C2 113988670 SSMOYRIVMMBRLN-AWEZNQCLSA-N 438.337 3.989 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 587265043 RPBWHTPQHBRCSA-PWCHPLFNSA-N 427.204 3.615 5 1 IHBF CN(CCCNc1ccnc2cc(Cl)ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 35190814 ONZFUARHZPKQTF-UHFFFAOYSA-N 434.905 3.919 5 1 IHBF COc1ccc(-[n+]2noc(O)c2Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 98085700 OPQKEYMEWLQYKW-UHFFFAOYSA-O 444.427 3.639 5 1 IHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587574198 DSUUMYKZIPHNHG-DENIHFKCSA-N 433.376 3.841 5 1 IHBF COCCNc1ccc(-c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587262343 SKJUEMDGKJUSGZ-UHFFFAOYSA-N 449.261 3.746 5 1 IHBF CCOC(=O)CCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2c1c(C(C)C)nn2C 962917517 ZQOMYDQXIFGVTO-QHCPKHFHSA-N 444.532 3.583 5 1 IHBF CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 201459148 OKSHDUNIHIJSGG-UHFFFAOYSA-N 440.477 3.773 5 3 IHBF Cc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccc([N+](=O)[O-])cc4)cc3c12 28524302 NPJZYVVFCMODTB-UHFFFAOYSA-N 426.436 3.680 5 1 IHBF O=[N+]([O-])c1c(Br)ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967453 YCDKPNDNOSMIDL-UHFFFAOYSA-N 433.247 3.971 5 1 IHBF COc1cccc2c(=O)c3c(NCc4ccccc4)ccc(C(=O)NCCN(C)C)c3[nH]c12 1772576758 QXCBNKRVPOTNGN-UHFFFAOYSA-N 444.535 3.593 5 1 IHBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 775534 ZJCATRYSRYXJGD-HIFRSBDPSA-N 447.488 3.598 5 1 IHBF CNC[C@H]1Cc2cccc3c4c5c(c6c7ccc(F)cc7[nH]c6c4n(c23)C1)C(=O)NC5=O 14945623 URRKLWBDEXHZPU-LLVKDONJSA-N 426.451 3.843 5 1 IHBF C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276919 OSXNNKSQXGDYHI-NSHDSACASA-N 446.876 3.731 5 1 IHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1cccc([N+](=O)[O-])c1 299849271 DLILSDHLHJMTGR-CUDBPUKSSA-N 430.420 3.516 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 587265045 RPBWHTPQHBRCSA-SREIQFSDSA-N 427.204 3.615 5 1 IHBF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149257 LAHCAQFLHPTXIJ-JKSUJKDBSA-N 427.505 3.761 5 1 IHBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 586925934 KWGDIRYWESHDOB-UHFFFAOYSA-N 444.252 3.635 5 1 IHBF Cc1onc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587078835 BYBCCMIUFWUSBY-UHFFFAOYSA-N 438.734 3.654 5 1 IHBF C[C@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587340590 WDSZAHSJUHHPCX-LDNGBCPOSA-N 443.427 3.653 5 1 IHBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(F)c(Br)cc1F 587943586 JSOVHSFWLZJJJR-UHFFFAOYSA-N 443.204 3.716 5 1 IHBF Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1 35861393 MJWCVXQRFGJITF-UHFFFAOYSA-N 432.502 3.967 5 1 IHBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cncc([N+](=O)[O-])c3[nH]1)C(=O)OC2 586915035 GGCODAKZTQURJK-NYYWCZLTSA-N 438.440 3.681 5 1 IHBF COc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)[C@H](O)C4 14455725 YHXWPTCZEWMDBD-GOSISDBHSA-N 426.465 3.949 5 1 IHBF biogenic,in-vitro COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c12 14969844 PICVLQXQBLBFNU-UHFFFAOYSA-N 446.555 3.552 5 1 IHBF COc1c(OCCF)cccc1[C@@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 40917475 CFYAUZPZSBAQNA-QFIPXVFZSA-N 432.492 3.940 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587750545 IPBDUXDIGROBIV-YPMLDQLKSA-N 435.253 3.958 5 1 IHBF O=C(NCc1ccccc1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82192247 AMCOFHQHZHJOIZ-IBGZPJMESA-N 448.508 3.781 5 1 IHBF COP(=O)(OC)[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 103220859 RYSKWSXLEVFBOB-KRWDZBQOSA-N 440.301 3.610 5 1 IHBF O=[N+]([O-])c1cncc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587157998 SPBMNVFYNSNWKB-UHFFFAOYSA-N 433.197 3.603 5 1 IHBF C[C@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 26157139 WJZVXNUMZCRQMH-GHTZIAJQSA-N 439.537 3.835 5 1 IHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587259977 LDTAJCWWRXIXTM-VGMNWLOBSA-N 445.111 3.748 5 1 IHBF COc1ccc(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-] 587868703 PFUJFSPIRYKMJE-UHFFFAOYSA-N 436.346 3.772 5 1 IHBF C[C@]1(COc2ccc(NC(=O)Nc3ccccc3F)cc2)Cn2cc([N+](=O)[O-])nc2O1 653796378 DIYZASOGHOJXTD-HXUWFJFHSA-N 427.392 3.805 5 1 IHBF CN1CCN(CCNC(=O)c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)CC1 1857598434 CZRPAIVFZXGINS-UHFFFAOYSA-N 425.536 3.933 5 1 IHBF O=[N+]([O-])c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587171641 SLFXFOWGIMGWJS-IBGZPJMESA-N 426.429 3.678 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 587750590 IXKPMXGDLKJRFD-XTZNXHDOSA-N 435.253 3.958 5 1 IHBF NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 13878912 IYXCJAGBRHSYPL-JOCHJYFZSA-N 446.507 3.988 5 3 IHBF COCCOc1cc2ncnc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c2c1OCCO2 653871700 RJJLWCAGCDVRBE-UHFFFAOYSA-N 432.820 3.731 5 1 IHBF O=C(Cc1c[nH]c2ccccc12)NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 13644621 WUCFYHSIRSJFBU-UHFFFAOYSA-N 436.472 3.944 5 1 IHBF Cc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3nc12 299870995 XLGUMPXXUZHRQM-UHFFFAOYSA-N 429.524 3.701 5 1 IHBF O=C(c1ccc(Cl)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 40874046 RFBMEEYMKQCIDQ-UHFFFAOYSA-N 441.947 3.852 5 1 IHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1 587273131 IGCYZOYAVATVRP-UHFFFAOYSA-N 434.172 3.962 5 1 IHBF C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276916 OSXNNKSQXGDYHI-LLVKDONJSA-N 446.876 3.731 5 1 IHBF CN1CCN(c2cc3ncnc(NCCc4ccc(Cl)cc4)c3cc2[N+](=O)[O-])CC1 3994910 ZAAADFRBKDKWGO-UHFFFAOYSA-N 426.908 3.598 5 1 IHBF Cc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3nc12 299860859 HJJNGULDCPQIHG-UHFFFAOYSA-N 429.524 3.701 5 1 IHBF COc1cc2c(=O)n([C@H](C)CN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 13649114 XYJIKVISVUAHKR-CYBMUJFWSA-N 435.480 3.571 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587845541 BHOGNPFAGNITCB-XLFHBGCDSA-N 443.294 3.524 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cnn(C)c3)c2c1 587620936 JOACYWBQLNQRIX-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587845538 BHOGNPFAGNITCB-VVVCHXIZSA-N 443.294 3.524 5 1 IHBF 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430.667 3.861 5 1 IHBF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049552 YQFPUAHQLBVXSL-CTNGQTDRSA-N 427.457 3.620 5 1 IHBF CCCn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 13472350 FMBRLWKPOKELMV-UHFFFAOYSA-N 447.415 3.696 5 1 IHBF COc1cc2c(=O)n(CCN3CCCC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28521562 RWSTWBVRUZUAHJ-UHFFFAOYSA-N 447.491 3.545 5 1 IHBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@H]([N+](=O)[O-])[C@@H]1CCCN12 169322073 BWZNUPNRUDEHSP-JRBPQWBISA-N 428.286 3.504 5 1 IHBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cc(F)c(F)c(F)c1 473121699 QSRKGEZDKJBIIY-UHFFFAOYSA-N 435.358 3.953 5 1 IHBF COc1cncc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c12 586949154 RUIIXOOCRLSYGC-UHFFFAOYSA-N 439.453 3.651 5 1 IHBF O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccccc2Cl)CC1 72105480 VLHOGVLPZVWGCQ-UHFFFAOYSA-N 433.943 3.810 5 1 IHBF O=C(N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)O)OCc1ccccc1 587203062 NBUDSWNBEFMKRT-OAQYLSRUSA-N 441.447 3.581 5 1 IHBF 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445.233 3.866 5 1 IHBF COC(=O)c1ccnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 587118309 LMDHDQUXZXNVBH-UHFFFAOYSA-N 446.345 3.583 5 1 IHBF CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc([N+](=O)[O-])cc3OC)n2C)cc1 103296831 VPUYEYHWFANTLD-XTQSDGFTSA-N 426.498 3.979 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3cccc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl 586926452 POIXSYZUXAKADU-UHFFFAOYSA-N 430.667 3.958 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 587750592 IXKPMXGDLKJRFD-YPMLDQLKSA-N 435.253 3.958 5 1 IHBF COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]1c1ccccc1Cl 587063676 YOTCYSAKRKUSSE-KBXCAEBGSA-N 429.864 3.613 5 1 IHBF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085558 KCZZTHDKNFIIGV-GOSISDBHSA-N 447.513 3.683 5 1 IHBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587338163 TXUHWDAFWLLHAQ-SIKLNZKXSA-N 438.342 3.785 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(cccc2[N+](=O)[O-])C(=O)c2cccc([N+](=O)[O-])c21 587389105 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3.905 5 1 IHBF C[C@@]1(c2cc([N+](=O)[O-])ccc2N)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963177343 IKNMMTFYHYNLRR-NVXWUHKLSA-N 429.782 3.712 5 1 IHBF O=C(O)c1cccc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)c1 84727872 TYJNAOJBBUASBU-UHFFFAOYSA-N 444.403 3.965 5 1 IHBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957796 FCUCUTMBHJCDDP-JQFCIGGWSA-N 427.486 3.561 5 1 IHBF O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@@]1(O)c1ccccc1 17198266 LRCOUHYBNBBCLE-OAQYLSRUSA-N 441.827 3.702 5 1 IHBF CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C 82082505 CWHQXQXRXOFGLJ-SFHVURJKSA-N 449.529 3.833 5 1 IHBF Cc1cnc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c([N+](=O)[O-])c1 963200008 WVDSSWNDJOGACH-GTNSWQLSSA-N 429.782 3.833 5 1 IHBF COC(=O)/C=C(\C(=O)OC)c1c2c3c(cc(OC)c(OC)c3c3ccccc13)CCN2C 31829670 OAKKXCBZUINRQN-LGMDPLHJSA-N 435.476 3.732 5 1 IHBF CC(=O)Nc1ccc2c(c1)c(=Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1n2C 469740565 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TYBHWICPGMNIQM-UHFFFAOYSA-N 434.499 3.963 5 3 IHBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148748 RCKQIBTUJSGWGN-IAGOWNOFSA-N 439.516 3.539 5 1 IHBF Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577888 UKTMEEUHESDTCP-GBXCKJPGSA-N 443.415 3.939 5 1 IHBF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-] 4049551 YQFPUAHQLBVXSL-FPOVZHCZSA-N 427.457 3.620 5 1 IHBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055268 YLRRIQZTNFKZPK-AZUAARDMSA-N 445.859 3.985 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587055898 RCXSBRGLIWKTPP-INIZCTEOSA-N 428.836 3.834 5 1 IHBF Cc1nn(Cc2ccccc2-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267863 STAJTBXGAVBLKB-UHFFFAOYSA-N 445.527 3.752 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1 587266085 YZTKGLYLRBQPCX-VXJOIVPMSA-N 436.222 3.676 5 1 IHBF O=c1nc(N2CCC(CN3CCCC3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857768489 XKAZJWPGKZJYEN-UHFFFAOYSA-N 442.463 3.896 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)CN(C)C)c(C)c2c1 587620453 CANIGDSJMLTVSD-ZDUSSCGKSA-N 446.529 3.859 5 1 IHBF Cc1cc(N2C(=O)C(=O)[C@@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 169689024 WQWUYZREAVFCOK-UXHICEINSA-N 445.387 3.794 5 1 IHBF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([N+](=O)[O-])cc2)cc1 29400908 WOQKMQHZDCKBDF-UHFFFAOYSA-N 426.376 3.838 5 1 IHBF CCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135257 AXADUQXVGNYESS-UHFFFAOYSA-N 449.467 3.923 5 1 IHBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1ccc(F)cc1[N+](=O)[O-] 963137066 HEZYFHPDPVJQRJ-IFXJQAMLSA-N 437.449 3.700 5 1 IHBF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3cccc([N+](=O)[O-])c3)ccc1-2 220184250 DIFYITUPDQZSRN-HXUWFJFHSA-N 449.463 3.511 5 1 IHBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 587334975 NHUFAIMWZHMOPB-PGRDOPGGSA-N 438.342 3.785 5 1 IHBF O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1ccco1 113050422 JRMJYEPVLGPSIV-ULIRXLGVSA-N 448.539 3.747 5 1 IHBF CCOc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1[N+](=O)[O-] 962645143 UQTNKHCOIWDPGO-YVEFUNNKSA-N 426.347 3.580 5 1 IHBF Cc1nn(Cc2ccccc2-c2nc3nc(Br)c[nH]c-3n2)c(C)c1[N+](=O)[O-] 587265115 MVMARDUBVXDPFN-UHFFFAOYSA-N 428.250 3.504 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587751990 PHIRGPPQZCQFFI-SGZRISQHSA-N 447.260 3.676 5 1 IHBF COc1ccccc1CCNc1ncc(C(=O)N2CCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135497 FFZNYRXLGAEPBK-UHFFFAOYSA-N 447.495 3.951 5 1 IHBF CN1CCN(CCCO[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 473154486 HZQXVPZQFRLKBE-HXUWFJFHSA-N 430.552 3.598 5 1 IHBF COC(=O)c1cc(Cl)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 587269802 PDIANGHFJABLMW-UHFFFAOYSA-N 442.859 3.931 5 1 IHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 587280551 ZSWRYSYHEMYEPB-UHFFFAOYSA-N 432.429 3.764 5 1 IHBF O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccc([N+](=O)[O-])o1 1911580585 RHBUZXNTKZZXRU-ZPICJPFVSA-N 440.477 3.907 5 1 IHBF O=C(NC[C@@H]1CCCN(c2nc3ccccc3o2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O 473105937 UPZIOMADLFIXFM-AWEZNQCLSA-N 447.451 3.636 5 1 IHBF COc1ccc([C@@H]2CC(Nc3nc4ccc([N+](=O)[O-])cc4s3)=NN2C(C)=O)cc1O 45254246 YGFNDUDUGKYPMX-AWEZNQCLSA-N 427.442 3.638 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587117492 JXNWDNWNABPONC-UHFFFAOYSA-N 431.378 3.875 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)nc2[nH]1 587263641 NBMSFQMFIDTSDL-SECBINFHSA-N 435.234 3.980 5 1 IHBF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2oc2ccc3ccccc3c24)C1 13781601 TXLRBFMVGQVAMM-CYBMUJFWSA-N 431.423 3.727 5 1 IHBF CCC(C)(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])s1 66259522 MCUPYWKMGONABL-UHFFFAOYSA-N 435.458 3.939 5 1 IHBF C[C@]1(CN2CCc3nc(-c4ccc(F)c(Cl)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857547288 PQSOBTLLALUKSP-NRFANRHFSA-N 443.866 3.855 5 1 IHBF CCN(C)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1 82136197 WBIATPSKQGONGT-UHFFFAOYSA-N 435.484 3.807 5 1 IHBF CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 13878918 PLCZKUOGDUKVFU-OAQYLSRUSA-N 434.496 3.844 5 3 IHBF CN(C)C[C@@H](O)Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3 1540644 VKOHANATKXXKCN-OAHLLOKOSA-N 426.520 3.605 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 587269650 LABHGGNPGJSYIT-UHFFFAOYSA-N 430.262 3.648 5 1 IHBF O=C(COc1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655781 ARPALCKRRXBOMS-UHFFFAOYSA-N 437.358 3.969 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587845546 BHOGNPFAGNITCB-XYZCENFISA-N 443.294 3.524 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] 587389236 JZYXRKHUMINBBN-XMMPIXPASA-N 444.399 3.637 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587752645 SOXNLHBALTUTCD-CACWOWMFSA-N 438.301 3.503 5 1 IHBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957798 FCUCUTMBHJCDDP-XKQJLSEDSA-N 427.486 3.561 5 1 IHBF Cc1cc(N(C)Cc2nc3cc(I)cnc3[nH]2)c([N+](=O)[O-])cc1F 587136263 CXFIRBQIOKAZGX-UHFFFAOYSA-N 441.204 3.555 5 1 IHBF CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)CC1 587280192 NCFYUHLBODSXMM-UHFFFAOYSA-N 428.466 3.993 5 1 IHBF COc1cc(Cc2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc(OC)c1OC 40564974 JHZIFBXWDHNHKI-UHFFFAOYSA-N 447.447 3.911 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 587265011 RELSTECKUVIAKX-DXRPGJJCSA-N 427.751 3.845 5 1 IHBF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 587334971 NHUFAIMWZHMOPB-GCJKJVERSA-N 438.342 3.785 5 1 IHBF O=c1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1 587007074 XINNBTFSYLCWFU-UHFFFAOYSA-N 426.230 3.506 5 1 IHBF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 587024261 RQECGUOXLPEDBJ-UHFFFAOYSA-N 433.497 4.449 5 1 IHBF O=[N+]([O-])c1cnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587118381 MSIYXHSLAQPRJJ-UHFFFAOYSA-N 433.306 3.705 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587749622 DXRNZJLMWDILPM-NDTSEKMISA-N 438.301 3.503 5 1 IHBF COc1cccc(N2CCN(CCCCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1 72108111 KTECFZCYIARBRU-UHFFFAOYSA-N 443.551 3.556 5 1 IHBF CCOc1cc([C@H]2NC(=O)N=C(c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702729 HSSNRDLONYUNIO-DLBZAZTESA-N 441.469 3.532 5 1 IHBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(I)c3)[nH]c12 587184280 HTGGCVAXHQXANT-UHFFFAOYSA-N 445.014 3.900 5 1 IHBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCN(Cc5cccnc5)CC4)cc3)C2)o1 1772628428 IMBGIJUQAIPHOG-QFIPXVFZSA-N 433.468 3.771 5 1 IHBF CC(C)c1ccc2nc3ccc(C(=O)NCCCCOc4cccnc4)cn3c(=O)c2c1 29560454 WAZRIVIKYVFBOI-UHFFFAOYSA-N 430.508 3.955 5 1 IHBF 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O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(OC(F)(F)F)cc3)c1)C2 66251759 PILHSCIXHOWTSJ-INIZCTEOSA-N 436.346 3.730 5 1 IHBF O=C([C@@H]1CCCCN1Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66166187 KYMSQAJQZFABLS-QFIPXVFZSA-N 442.947 3.952 5 1 IHBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587748473 VANZRVQQMCENIJ-WLRWDXFRSA-N 437.265 3.837 5 1 IHBF C[C@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 115605401 VGWKSCHHKMKBGM-GOSISDBHSA-N 436.346 3.982 5 1 IHBF Cc1c(Cc2c(F)cccc2F)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)[nH]c1=O 28862922 RVBZJHHSRPMADC-UHFFFAOYSA-N 431.420 3.831 5 1 IHBF COCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 82135904 PHECSSDLCYQTDT-UHFFFAOYSA-N 441.875 3.694 5 1 IHBF CCOC(=O)c1cc2cc(N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)ccc2o1 299826135 XQRGFNIRTZIOKG-UHFFFAOYSA-N 438.440 3.872 5 1 IHBF COC(=O)c1cc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2cc1OC 587266945 COTUMGNNGNMTEB-UHFFFAOYSA-N 435.440 3.795 5 1 IHBF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 587090949 CULISCMSUBVXQF-UHFFFAOYSA-N 445.398 3.671 5 1 IHBF O=[N+]([O-])c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171252 NISQSRKFSRMZQX-SFHVURJKSA-N 426.429 3.678 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587749623 DXRNZJLMWDILPM-PHXIREDNSA-N 438.301 3.503 5 1 IHBF Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 84758744 GQPOBTGNALRLCC-UHFFFAOYSA-N 425.876 3.909 5 1 IHBF COc1cc2c(cc1OC)[C@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])N(C)[C@H](C)C2 962619598 DSZFGEPVWJEPEQ-QKFKETGDSA-N 444.484 3.821 5 1 IHBF COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2478215 SOPTZVBCUQHNAF-UHFFFAOYSA-N 443.387 3.551 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 587264601 OBDFOHJRJHAQHA-SREIQFSDSA-N 427.204 3.615 5 1 IHBF C[C@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 10450396 XZXVVSFNZHUCDU-SNVBAGLBSA-N 433.269 3.566 5 1 IHBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@@H](O)CN1CCC(N2CCCCC2)CC1 43013673 JMHJWVHZQBPELZ-QFIPXVFZSA-N 433.596 3.774 5 1 IHBF COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135176 RMIAZPLJMZYMFY-UHFFFAOYSA-N 427.505 3.905 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1[N+](=O)[O-] 586940659 BSCWFWRGRLMKBF-UHFFFAOYSA-N 434.543 3.969 5 1 IHBF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587112558 LCKWMVWQTVIDAE-QGZVFWFLSA-N 437.334 3.798 5 1 IHBF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4055266 YLRRIQZTNFKZPK-ICSRJNTNSA-N 445.859 3.985 5 1 IHBF CC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)cc1 45384307 GCBWCOGELCSAMC-UHFFFAOYSA-N 429.388 3.850 5 1 IHBF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3cccc([N+](=O)[O-])c3)ccc1-2 220184185 DIFYITUPDQZSRN-FQEVSTJZSA-N 449.463 3.511 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263575 UXYOHAHDVPEOAK-UHFFFAOYSA-N 435.818 3.886 5 1 IHBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccccc1F 1772605393 BTNOYGBPOMPCFY-GOSISDBHSA-N 430.439 3.762 5 1 IHBF COc1cc2c(cc1OC)S[C@@H](C(=O)CC1(O)CC[N+](C)(Cc3ccccc3)CC1)C2 38151248 OFQUUTKEKIIUJE-JDSVYEKJSA-N 442.601 3.852 5 1 IHBF COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(OC)cc1 653689439 RUGGARPHMZQQEO-UHFFFAOYSA-N 435.436 3.603 5 1 IHBF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481010 JCKPHWXTXRMNIM-UHFFFAOYSA-N 431.832 3.955 5 1 IHBF CCC(C)(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])s1 66259521 FSSRQFHBKPDCTJ-UHFFFAOYSA-N 435.458 3.939 5 1 IHBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574683 GIALOPAOYNPUBX-OFNKIYASSA-N 435.388 3.721 5 1 IHBF CCO[C@H](C)Oc1cc2ncnc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2c2c1OCCO2 653861635 AHIUTLRONNLURJ-LBPRGKRZSA-N 442.428 3.823 5 1 IHBF O=C(CN1[CH]C=CC=C1c1ccccn1)c1ccc(I)c([N+](=O)[O-])c1 2356853146 RTMSDHIRQMSEQZ-UHFFFAOYSA-N 446.224 3.852 5 1 IHBF O=C(c1ccccc1)c1[nH]c2ccccc2c1Nc1nc(N2CCOCC2)ncc1[N+](=O)[O-] 1772604160 JFTJCGBBPDPEHG-UHFFFAOYSA-N 444.451 3.677 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587749617 DXRNZJLMWDILPM-LEIUXWLQSA-N 438.301 3.503 5 1 IHBF COc1cc([N+](=O)[O-])cc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1OCC(=O)O 962667887 MKBWZQPQYBADEZ-HSZRJFAPSA-N 434.448 3.969 5 1 IHBF COc1cc(Nc2ncc3c(C)nc(-c4ccccc4[N+](=O)[O-])n3n2)cc(OC)c1OC 45497966 AHLIMUMCWAPZNP-UHFFFAOYSA-N 436.428 3.777 5 1 IHBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149263 LAHCAQFLHPTXIJ-HZPDHXFCSA-N 427.505 3.761 5 1 IHBF CN1CCN(c2nc3cc([N+](=O)[O-])ccc3nc2NCc2ccc(C(F)(F)F)cc2)CC1 1857604980 YSDRALWHQFUOQI-UHFFFAOYSA-N 446.433 3.921 5 1 IHBF O=C(Nc1c(F)cccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc([N+](=O)[O-])ccn1 13587609 PDSGSWUNDWJOFE-UHFFFAOYSA-N 441.327 3.570 5 1 IHBF Cc1ccccc1/C=C\c1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc2c1OCCO2 169337262 HPPPEULSECGMNA-KTKRTIGZSA-N 435.436 3.898 5 1 IHBF Cc1cccc(CNc2ccc([C@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 13878905 XFRXPOPJGPABJE-NRFANRHFSA-N 432.480 3.862 5 3 IHBF NC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587118565 PBIFXJMCGBHHOZ-UHFFFAOYSA-N 430.346 3.501 5 1 IHBF O=C(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73200014 GFZFHQADKHPZNA-KRWDZBQOSA-N 446.385 3.597 5 1 IHBF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82135735 LTTAUXARROEGTQ-CQSZACIVSA-N 449.467 3.921 5 1 IHBF O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCN(c2ccccc2Cl)CC1 103296187 RYJGDGCCBIZHPU-IBGZPJMESA-N 442.947 3.809 5 1 IHBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587194112 LTGWQEOLCUPCDP-GFCCVEGCSA-N 442.314 3.751 5 1 IHBF CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cn1 49047606 HNUCSABEXNUOIE-UUILKARUSA-N 444.451 3.962 5 1 IHBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC2Cc3ccccc3C2)[C@H]1c1cccc([N+](=O)[O-])c1 49111179 AHZXPHRYECMLHI-QHCPKHFHSA-N 448.475 3.713 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)c(F)c1)C2 473133081 WXHFQTOTWMYHBB-ZDUSSCGKSA-N 438.337 3.989 5 1 IHBF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)[nH]1 1857574735 RMCHIIGTBZAGNG-HNNXBMFYSA-N 432.868 3.581 5 1 IHBF O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 82081338 KMZZPPBXHJXFLO-INIZCTEOSA-N 428.514 3.583 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 587265402 TYFOZHIQAUJLOB-VXJOIVPMSA-N 425.323 3.932 5 1 IHBF O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4c(F)cccc4Cl)nn3)s2)o1 73292404 SFDPRHXKURBXQR-UHFFFAOYSA-N 435.828 3.751 5 1 IHBF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134403 AGTUTJXAADYTOV-HNAYVOBHSA-N 427.505 3.809 5 1 IHBF O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] 587119557 YFIONNYMAXREJI-UHFFFAOYSA-N 449.143 3.600 5 1 IHBF CCN(CC)S(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587136577 GSPWFXJYQQIJER-UHFFFAOYSA-N 449.508 3.586 5 1 IHBF O=C(NCC1CC1)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 12477345 QGWQIAHBCCEFCL-FQEVSTJZSA-N 445.479 3.791 5 3 IHBF CCS(=O)(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1 587267223 HCRAAQOSOWJTOP-UHFFFAOYSA-N 439.497 3.793 5 1 IHBF O=C(N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)O)OCc1ccccc1 587203711 RTJBAZDGKKOQCW-KRWDZBQOSA-N 441.447 3.581 5 1 IHBF C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277366 UYJWYCZAKYIKMN-LLVKDONJSA-N 446.876 3.731 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587263002 JBMZTRWXOCVKNS-NSHDSACASA-N 443.412 3.618 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587574206 DSUUMYKZIPHNHG-UGKGYDQZSA-N 433.376 3.841 5 1 IHBF CCC1(CC)C(=O)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccc(C(=O)O)cc1 27210420 YDNWGSUFTIIDAZ-FQEVSTJZSA-N 441.440 3.556 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(F)(F)F)cc2[nH]1 587265401 TYFOZHIQAUJLOB-GLEZIHRCSA-N 425.323 3.932 5 1 IHBF O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 13734728 PGOGBFGIWKCJQA-UHFFFAOYSA-N 426.542 3.501 5 1 IHBF O=C(NC1CCCCC1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82192206 ZOTCGJDLZCLXKA-SFHVURJKSA-N 440.529 3.914 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587750544 IPBDUXDIGROBIV-XTZNXHDOSA-N 435.253 3.958 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N(C)[C@H](C)C2 962568034 KQXKLIOEOYQDMJ-ODXCJYRJSA-N 441.513 3.847 5 1 IHBF Cc1cc(Nc2ccc3c(c2)c(-c2ccc(N)cc2)[n+](C)c2cc(N)ccc32)nc(N)[n+]1C 538264 ATUKMAKBUDAKLO-UHFFFAOYSA-P 437.551 3.503 5 1 IHBF in-man O=C(NC(=S)NCCC1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 598307 VKKXYSVCNJZTJH-UHFFFAOYSA-N 426.542 3.501 5 1 IHBF O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(O)cc3c2=O)cc1 58592725 PMBXHIPVWSZYMJ-NYYWCZLTSA-N 429.388 3.868 5 1 IHBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 587926497 ZWNBVXMBNWFORY-GDBMZVCRSA-N 448.472 3.567 5 1 IHBF COc1cc(-c2nc3ccc(I)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260778 DYVPIZDXCRWCKI-UHFFFAOYSA-N 425.182 3.760 5 1 IHBF NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCC2)c([N+](=O)[O-])c1 13878913 IYXCJAGBRHSYPL-QFIPXVFZSA-N 446.507 3.988 5 3 IHBF COCCNc1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 82149984 JKOAEDBVEUFKCQ-UHFFFAOYSA-N 441.875 3.694 5 1 IHBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(CCC)CCC)cc1[N+](=O)[O-] 29479904 NQPXTGUBHJHANM-UHFFFAOYSA-N 430.527 3.940 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)C/C=C/c1cnn2ccc(Br)cc12 103297395 LMIJAEPPXWCTDH-NSCUHMNNSA-N 436.287 3.801 5 1 IHBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)nc1C(F)(F)F 587118330 MCXQSUUGNRMIPZ-UHFFFAOYSA-N 431.374 3.937 5 1 IHBF COc1cc2c3c(c1)O[C@@]1(c4cc([N+](=O)[O-])ccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587431776 GIQZJHCINGKKCU-UUOWRZLLSA-N 429.384 3.973 5 1 IHBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 963191986 XSXLCMXYLDPNDZ-LRDDRELGSA-N 440.765 3.832 5 1 IHBF N=C(N)c1ccc(-c2[nH]c3cc(C(=N)N)ccc3c2Cc2cc([N+](=O)[O-])ccc2O)cc1 27442453 XCARYEFOJXGZPB-UHFFFAOYSA-N 428.452 3.608 5 1 IHBF COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(=O)oc2c1C 586919223 XHSCUDLKDUDZES-UHFFFAOYSA-N 438.396 3.896 5 1 IHBF COc1ccc(/C=C/C(=O)OCC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1O 1772631591 HECMFBIIPSYKGE-WEVVVXLNSA-N 426.469 3.778 5 1 IHBF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 963188161 VUMXHNQCADEYNG-DOMZBBRYSA-N 440.765 3.603 5 1 IHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587055899 RCXSBRGLIWKTPP-MRXNPFEDSA-N 428.836 3.834 5 1 IHBF COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cccc([N+](=O)[O-])c1 587623574 WQBFXAFDZPUAIR-UHFFFAOYSA-N 443.213 3.733 5 1 IHBF CN(C)Cc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2C[C@H](CO)C5)C(=O)NC3 28819521 LNKBUEXIEXKLAG-MRXNPFEDSA-N 438.531 3.830 5 1 IHBF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CNCCC(=O)NO)cc3)cc12)c1ccccc1 138955473 KTJXMMHRFIGNRN-MRXNPFEDSA-N 430.512 3.783 5 1 IHBF O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(=O)c3cc([N+](=O)[O-])ccc3s2)CC1 1772599038 CUDNPDLYQCWDMQ-UHFFFAOYSA-N 445.888 3.572 5 1 IHBF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc([N+](=O)[O-])cc3OC)n2C)cc1 29124760 VPUYEYHWFANTLD-LNVKXUELSA-N 426.498 3.979 5 1 IHBF COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(C)=O)C(C)(C)O2 40565219 TZOIXBYIDMCFDD-JWQCQUIFSA-N 447.487 3.990 5 1 IHBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148745 RCKQIBTUJSGWGN-IRXDYDNUSA-N 439.516 3.539 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 587576442 JAOWSNTXDOLLBY-UGKGYDQZSA-N 433.376 3.841 5 1 IHBF O=[N+]([O-])c1ccc2nc(NCc3ccc(C(F)(F)F)cc3)c(N3CCNCC3)nc2c1 1857578425 PDDLMVIIHQVFIE-UHFFFAOYSA-N 432.406 3.579 5 1 IHBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050166 LPNWDTQVQZOXIG-LYSIVYOWSA-N 443.887 3.760 5 1 IHBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957795 FCUCUTMBHJCDDP-COXVUDFISA-N 427.486 3.561 5 1 IHBF COCCNc1ccc(-c2nc3cccc(I)c3[nH]2)cc1[N+](=O)[O-] 587261676 FTCOIJJBAYLMEH-UHFFFAOYSA-N 438.225 3.801 5 1 IHBF CCC[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041718 XYLZNTLZAXATTA-FCIYXJNOSA-N 449.573 3.613 5 3 IHBF Cc1c(I)cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587183450 ZIRHYFUMEKEWGH-SSDOTTSWSA-N 431.621 3.843 5 1 IHBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 82214814 KGRFLDXXJIRAKO-HZPDHXFCSA-N 427.505 3.761 5 1 IHBF COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC 587645875 NELONJRMHHWTLH-UHFFFAOYSA-N 438.371 3.641 5 1 IHBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])c(OC)n1 587860353 RTVCAIASSLEQER-UHFFFAOYSA-N 440.243 3.709 5 1 IHBF C[C@]1(CN2CCc3nc(-c4cc(F)ccc4Cl)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857543522 GUZQLEBSXCSSON-NRFANRHFSA-N 443.866 3.855 5 1 IHBF C[C@H](O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586887994 ASPNSELKFPRIGA-NSHDSACASA-N 430.416 3.768 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccn(C)n3)c(C)c2c1 587620489 CWSXUNZWDLNPMM-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(-c2ccccc2)cn1 1857543952 XVPXSNQZMCOONA-UHFFFAOYSA-N 430.420 3.672 5 1 IHBF Cc1cc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2cc1[N+](=O)[O-] 587001599 FDZZQPFAZBTLIL-UHFFFAOYSA-N 431.246 3.510 5 1 IHBF O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084517 OKRALUWTKXSRDI-INIZCTEOSA-N 443.506 3.835 5 1 IHBF O=[N+]([O-])c1cncc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586955057 SMBJNWWMMPRUMA-UHFFFAOYSA-N 437.481 3.588 5 1 IHBF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)[C@@H](C2)C3=O 587424146 XPWSSQUCIMUPPC-LHSJRXKWSA-N 425.828 3.682 5 1 IHBF CCOC(=O)CN(Cc1ccccc1)c1nc(Nc2cccc(OC)c2)ncc1[N+](=O)[O-] 653893449 OLNGLSJSUKXZIW-UHFFFAOYSA-N 437.456 3.707 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2[N+](=O)[O-] 587389230 JZYXRKHUMINBBN-DEOSSOPVSA-N 444.399 3.637 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 587577256 RLNILERWNFYQQA-XUZZJYLKSA-N 448.431 3.840 5 1 IHBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@H](OC(C)=O)C(C)(C)O2 26835779 CIDPJZSQXXPGQS-RPBOFIJWSA-N 447.487 3.990 5 1 IHBF C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857575998 FSOXZMVHNZSLIE-SNVBAGLBSA-N 434.367 3.801 5 1 IHBF C[C]1N(C)c2ccccc2N1CC(=O)c1ccc(I)c([N+](=O)[O-])c1 2356855624 DWQDVCNDQYPZTA-UHFFFAOYSA-N 436.229 3.848 5 1 IHBF CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 13878938 IYYWYJJJLKZLMM-MRXNPFEDSA-N 449.305 3.524 5 3 IHBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1 103245397 NBWXZOPSENEJOI-AWNIVKPZSA-N 429.480 3.968 5 1 IHBF COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC 587645711 IIKCCDJORCGOHX-UHFFFAOYSA-N 438.371 3.641 5 1 IHBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc([N+](=O)[O-])c2[nH]1 586934954 DSFGPRPNULLKBJ-HNNXBMFYSA-N 434.543 3.861 5 1 IHBF C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])NCCc2nc3ccccn3c21 962983595 BUHKTHXIKZYITJ-INIZCTEOSA-N 442.690 3.533 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1cccnc1-c1ccc(OC(F)(F)F)cc1)C2 1772631614 AIJKWDCJBLVTGU-OAHLLOKOSA-N 436.346 3.730 5 1 IHBF COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572949 ANKGQCUZABSSEE-XUZZJYLKSA-N 449.415 3.807 5 1 IHBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5cccnc5)CC4)cc3)C2)o1 1772628427 IMBGIJUQAIPHOG-JOCHJYFZSA-N 433.468 3.771 5 1 IHBF Cc1ccccc1CNc1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 13878882 GLSAHLIHFPLYJF-OAQYLSRUSA-N 432.480 3.862 5 3 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 587577255 RLNILERWNFYQQA-URXFXBBRSA-N 448.431 3.840 5 1 IHBF COc1ccc(CCN2C(=S)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1OC 8671872 TXMIREQOUMZOEL-IIBYNOLFSA-N 429.498 3.585 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Br)ccnc2[nH]1 587263030 JKGGQMXJMYQERJ-SECBINFHSA-N 435.234 3.980 5 1 IHBF CCOC(=O)c1ccc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 587265632 XEHJPOCCDXVLFI-GFCCVEGCSA-N 427.413 3.999 5 1 IHBF O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656147 GPUBMUFGKBFUMQ-UHFFFAOYSA-N 437.358 3.838 5 1 IHBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 963188179 VUMXHNQCADEYNG-WFASDCNBSA-N 440.765 3.603 5 1 IHBF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)[C@@H]1CCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 1857606015 MDZPKLDPAIRHGI-QGZVFWFLSA-N 438.440 3.667 5 1 IHBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 169714251 DYVFBYADFNZFNY-PKOBYXMFSA-N 441.470 3.576 5 1 IHBF O=C(NCCNCCO)c1cc2c3ccccc3[nH]c2c2cc(Br)ccc12 73141008 YIGHFFGGPHQICB-UHFFFAOYSA-N 426.314 3.549 5 1 IHBF COc1ccc(-n2nnc(-c3cc(OC)ccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1857763001 MHZCGJVYZODDNA-UHFFFAOYSA-N 446.423 3.507 5 1 IHBF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])cc2)S3)c1 73298036 NZPLZRLJWJUWDI-OAHLLOKOSA-N 434.275 3.972 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587116281 BNJBZGDMPDMDSF-UHFFFAOYSA-N 439.579 3.854 5 1 IHBF COCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82134473 JPVYVVLECJUCJB-UHFFFAOYSA-N 427.505 3.810 5 1 IHBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587748474 VANZRVQQMCENIJ-WYRIXSBYSA-N 437.265 3.837 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@@](COc3ccccc3[N+](=O)[O-])(c3ccccc3)c3cccc1c32 963024799 LZLZEUYNYUBLAK-NSYGIPOTSA-N 429.476 3.971 5 1 IHBF 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O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)s1)C2 45245436 ZQACPGIJJHFHLY-NSHDSACASA-N 426.376 3.911 5 1 IHBF Cc1nn(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1Br 586979289 VYANGCQSQLVQRS-UHFFFAOYSA-N 429.072 3.858 5 1 IHBF CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34 26479695 UBPHDVARNXYGAA-LBPRGKRZSA-N 426.450 3.722 5 1 IHBF CN(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 29040360 FIKDRAWYYRUNBG-LJQANCHMSA-N 436.299 3.513 5 1 IHBF COc1cc(OCc2nc3cccc(I)c3[nH]2)ccc1[N+](=O)[O-] 587262547 CDLDCLIPKOCMGX-UHFFFAOYSA-N 425.182 3.663 5 1 IHBF Cc1ccc([C@]2(c3cccc([N+](=O)[O-])c3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cn1 963240118 XXTSOWSIUOYCMD-ZCYQVOJMSA-N 440.459 3.737 5 1 IHBF Cc1cc(OCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c(C)cc(=O)oc2c1 1857772581 FQSKKNNDKZBCFJ-UHFFFAOYSA-N 437.496 3.909 5 1 IHBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC[C@@H](O)[C@@H](O)CC3 43061826 VDNWEMSOQYMEDL-UXHICEINSA-N 425.488 3.661 5 1 IHBF O=[N+]([O-])c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)nn1CC(F)(F)F 587092014 LBBKCCNYTZRSBP-UHFFFAOYSA-N 425.552 3.708 5 1 IHBF COc1cc2c(cc1OC)[C@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])N(C)[C@@H](C)C2 962619594 DSZFGEPVWJEPEQ-LFVRLGFBSA-N 444.484 3.821 5 1 IHBF COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148385 FABSXOXHFVILCV-UHFFFAOYSA-N 427.505 3.905 5 1 IHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)CC2=O 587473571 XUNZUMORJMOLIG-QFIPXVFZSA-N 425.485 3.711 5 1 IHBF O=C1NC(=O)/C(=C/c2c(-c3ccc([N+](=O)[O-])cc3)nc3sc(C(F)(F)F)nn23)S1 73315083 UGVQJVDPMPHSSN-UITAMQMPSA-N 441.372 3.709 5 1 IHBF O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1 169331405 ZWLIROGIYQAECW-UHFFFAOYSA-N 437.235 3.534 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)N1 587748892 BJVNFKDDULHLAX-XTZNXHDOSA-N 435.253 3.958 5 1 IHBF O=C(NC1CCCCC1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82192209 XGDOQLFWPREOKD-SFHVURJKSA-N 440.529 3.914 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587262820 IDFOMHLURDHISR-GFCCVEGCSA-N 447.469 3.616 5 1 IHBF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C)c([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O 587431499 FPMNMZNUQXAASM-MHECFPHRSA-N 449.463 3.962 5 1 IHBF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)c([N+](=O)[O-])c3)C[C@@H]1O2 95556598 RQIONHPYUSEJFL-QTPGKHNVSA-N 426.469 3.932 5 1 IHBF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@@H]2CC[C@@H]1N2C 169345434 QJUBSTXVPSUGAE-JTOWHCCKSA-N 431.470 3.971 5 1 IHBF CCCCNS(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587137151 QGCCSSXZHHMPKR-UHFFFAOYSA-N 449.508 3.633 5 1 IHBF O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 84669520 FTIOZBFLDOHMDW-UHFFFAOYSA-N 441.465 3.937 5 1 IHBF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 587092218 SHRLYFXVGYIJLQ-UHFFFAOYSA-N 445.398 3.671 5 1 IHBF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@H]1c1ccc(F)cc1 587334968 NHUFAIMWZHMOPB-AVRDEDQJSA-N 438.342 3.785 5 1 IHBF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])ccc(O)c41)[C@@H](C2)C3=O 587431464 FIMVJFMPFAZJJZ-OWJWWREXSA-N 429.384 3.545 5 1 IHBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 82081439 WKEPYSBEALRBKD-OAHLLOKOSA-N 428.514 3.583 5 1 IHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963197814 UFEBZXUYASONHH-MLGOLLRUSA-N 430.766 3.964 5 1 IHBF CCCCc1cc(O)c([N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28253268 DUHOKLQDRPENGN-UHFFFAOYSA-N 446.467 3.700 5 1 IHBF Nc1ncc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268402 WEHNASDUUMPRIZ-UHFFFAOYSA-N 444.860 3.570 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587752647 SOXNLHBALTUTCD-UGMUFPIGSA-N 438.301 3.503 5 1 IHBF CN(C)C[C@H](O)Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3 13906156 VKOHANATKXXKCN-HNNXBMFYSA-N 426.520 3.605 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 586941881 XWLKTHQSKJJTFQ-UHFFFAOYSA-N 448.860 3.603 5 1 IHBF O=C(Oc1cccc(I)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 40392162 PCEAXDQCRCCSRJ-UHFFFAOYSA-N 437.145 3.525 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 587748577 VSOWOLLPJHHPIG-YYSFKGJASA-N 439.237 3.583 5 1 IHBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCCN1CCSCC1 66251576 NXWLZDOTTFHALU-UHFFFAOYSA-N 442.541 3.589 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 66251994 GSXVUXVAKTVPOV-INIZCTEOSA-N 436.346 3.730 5 1 IHBF O=[N+]([O-])c1cc(-c2nc3ccc(I)cc3[nH]2)nn1CC(F)(F)F 587093298 ZMYJODSYOBOJBM-UHFFFAOYSA-N 437.119 3.502 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnccn3)c(C)c2c1 587621449 UTRXYDINOOZGLY-UHFFFAOYSA-N 439.453 3.651 5 1 IHBF CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cc([N+](=O)[O-])ccc23)c1C 587648312 CEJQGGVGKNQPDP-UHFFFAOYSA-N 427.413 3.605 5 1 IHBF O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@@H](O)CSc1ccc([N+](=O)[O-])cc1 13581021 KMBHCIGSFJFAMQ-AWEZNQCLSA-N 431.348 3.614 5 1 IHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1cccc([N+](=O)[O-])c1 299849273 DLILSDHLHJMTGR-YYTDSSBASA-N 430.420 3.516 5 1 IHBF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)o1 586922943 FGPMESUMBTZFFA-UHFFFAOYSA-N 447.860 3.711 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1 586948784 OADOAKPPCBYRDK-UHFFFAOYSA-N 444.860 3.642 5 1 IHBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(F)cc1)c1cccc2c1OCCO2 169337260 QPKQHVKVLLIEEQ-TWGQIWQCSA-N 439.399 3.729 5 1 IHBF CN1CCN(CCCO[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 473154485 HZQXVPZQFRLKBE-FQEVSTJZSA-N 430.552 3.598 5 1 IHBF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135545 QICGLROUVSQRDZ-IYBDPMFKSA-N 427.505 3.618 5 1 IHBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)[C@@H]1c1ccc(F)cc1 587334977 NHUFAIMWZHMOPB-XMSQKQJNSA-N 438.342 3.785 5 1 IHBF O=C(N[C@@H](CO)CSCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084476 KTSMEKRSIUPXFY-INIZCTEOSA-N 429.523 3.742 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1[N+](=O)[O-] 586941774 WNQUWTYWLRMLQR-UHFFFAOYSA-N 428.495 3.825 5 1 IHBF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195880 WWAVARYGGZZPBF-AWEZNQCLSA-N 426.926 3.961 5 1 IHBF O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1ncc2ccc(Cl)cc2c1=O 587652712 FRMIWGQQIDFAGA-UHFFFAOYSA-N 425.784 3.819 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncccc1-c1ccc(OC(F)(F)F)cc1)C2 1772622804 YJJSGDCDWLLRQO-AWEZNQCLSA-N 436.346 3.730 5 1 IHBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1 82214813 KGRFLDXXJIRAKO-HOTGVXAUSA-N 427.505 3.761 5 1 IHBF Cn1c2nc3ccccc3c-2c(N2CCN(CCO)CC2)c2cc(C(F)(F)F)ccc21 103172636 NXTGCAOJEYLWDK-UHFFFAOYSA-N 428.458 3.964 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3ccc4c(c3[nH]2)CCCC4)cc1[N+](=O)[O-] 586941174 PZPSXGVHCFQHFY-UHFFFAOYSA-N 432.527 3.550 5 1 IHBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl 26383856 OOCWNFXITFHVGC-SNVBAGLBSA-N 433.269 3.566 5 1 IHBF COc1cc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1O 299836093 GDYKQCDEAXJNRR-SFHVURJKSA-N 441.443 3.874 5 1 IHBF O=C(N[C@H](CO)CSCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084519 GEQYFQGTEFWOQH-OAHLLOKOSA-N 429.523 3.742 5 1 IHBF Cc1nn(Cc2ccccc2C(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1[N+](=O)[O-] 587653526 XUNYKBVNFPZMJJ-UHFFFAOYSA-N 437.843 3.508 5 1 IHBF C[C@@H](NC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 26157129 WJZVXNUMZCRQMH-WIYYLYMNSA-N 439.537 3.835 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4c(Cl)c(Cl)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263726 ZUJTYTCAZPJVSX-UHFFFAOYSA-N 435.271 3.656 5 1 IHBF COC(=O)[C@@H]1[C@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@@H]2CC[C@H]1N2C 36271343 QJUBSTXVPSUGAE-OIPACUDHSA-N 431.470 3.971 5 1 IHBF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 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NVEXSPMXSJOROD-UHFFFAOYSA-N 425.397 3.792 5 1 IHBF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1 587270813 QJPPOZOYEUZYRK-AWEZNQCLSA-N 433.262 3.653 5 1 IHBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC 775532 ZJCATRYSRYXJGD-UKRRQHHQSA-N 447.488 3.598 5 1 IHBF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)[nH]1 1857591424 KFINSLQGWIDIKF-OAHLLOKOSA-N 432.868 3.581 5 1 IHBF O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC1CCCC1 9860256 CAYGKBQQXDRZGV-UHFFFAOYSA-N 439.523 3.974 5 1 IHBF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587334865 MVMXDJBWZQZFGL-AVRDEDQJSA-N 438.342 3.785 5 1 IHBF O=[N+]([O-])c1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@@H]2C2CC2)cc1 45318441 LSUGDVXHXZWRSM-IBGZPJMESA-N 432.408 3.923 5 1 IHBF Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577891 UKTMEEUHESDTCP-YKSBVNFPSA-N 443.415 3.939 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-] 587868757 SGJFRCVFCYXBNV-NSHDSACASA-N 436.346 3.988 5 1 IHBF CN(Cc1ccc2c(c1)OCCO2)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2o1 1857594448 STOTUOFWPUQHDS-UHFFFAOYSA-N 437.330 3.523 5 1 IHBF C[C@]1(C[C@@H](C[N+](=O)[O-])c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962668811 PVNSMKLRPUYMMP-PNTFMKQHSA-N 433.508 3.999 5 1 IHBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc([N+](=O)[O-])cnc3[nH]1)C(=O)OC2 586914733 AJLOCGRLWIYWNR-WCIBSUBMSA-N 438.440 3.681 5 1 IHBF CCOc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1[N+](=O)[O-] 962645141 UQTNKHCOIWDPGO-SJKOYZFVSA-N 426.347 3.580 5 1 IHBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)C2)o1 1772655084 DZVGYEQVNZZXTK-JOCHJYFZSA-N 433.468 3.771 5 1 IHBF C[C@@]1(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1 115605400 VGWKSCHHKMKBGM-SFHVURJKSA-N 436.346 3.982 5 1 IHBF N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587184452 UCANBCUHGVOZMA-LLVKDONJSA-N 442.644 3.972 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C)c2c1 587621129 OXUROGSGWGYUHW-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C 587863081 QFWMGSBMYBVTTK-LLVKDONJSA-N 437.378 3.967 5 1 IHBF O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1 587002920 IAEFVKJBAZJNLR-QMMMGPOBSA-N 447.201 3.777 5 1 IHBF COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccc5)CC4)cc3n(C)c2c1 45506393 SACCETZGSKQLCM-UHFFFAOYSA-N 444.535 3.618 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])cccc21 587389184 JQKKZNPYQKPRQI-UHFFFAOYSA-N 445.387 3.847 5 1 IHBF O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O 587651849 PTYOFCQIKYCMRK-UHFFFAOYSA-N 444.234 3.545 5 1 IHBF Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656726 LJSXYYWYCBUYEC-GFCCVEGCSA-N 439.378 3.656 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncc(Br)c2[nH]1 587262815 IBQGCZQVNGOPGM-VIFPVBQESA-N 435.234 3.980 5 1 IHBF O=c1c2ccc(Cl)cc2sc2c(N3CCN(CCO)CC3)nc3ccccc3c12 473166012 CZPSGSLFFBUSCK-UHFFFAOYSA-N 425.941 3.731 5 1 IHBF CN(Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 29040362 FIKDRAWYYRUNBG-IBGZPJMESA-N 436.299 3.513 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587750584 IUGOKHMHRWUMJV-YYYQBBPDSA-N 447.260 3.676 5 1 IHBF O=C(CSc1nnnn1-c1cccc(Cl)c1Cl)Nc1ccccc1[N+](=O)[O-] 33817034 CBMITOXKYOEQBS-UHFFFAOYSA-N 425.257 3.608 5 1 IHBF COc1ccc([C@H]2CC(Nc3nc4ccc([N+](=O)[O-])cc4s3)=NN2C(C)=O)cc1O 45254249 YGFNDUDUGKYPMX-CQSZACIVSA-N 427.442 3.638 5 1 IHBF Cc1ccnc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 95566138 AGWAEWJPKFNDHK-UHFFFAOYSA-N 425.436 3.836 5 1 IHBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(N5CCOCC5)cc4c32)ccc1C 1772579165 CLYMYGKVOUOPCQ-UHFFFAOYSA-N 440.503 3.808 5 1 IHBF COC(=O)[C@H]1[C@@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@H]2CC[C@H]1N2C 253638424 QJUBSTXVPSUGAE-ADAWSYLGSA-N 431.470 3.971 5 1 IHBF O=c1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc(Br)cn1Cc1ccccc1 587006524 PCYXKRPTLZIVQA-UHFFFAOYSA-N 426.230 3.506 5 1 IHBF COCCOc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587266404 VZSBEONCONZHFL-UHFFFAOYSA-N 437.206 3.834 5 1 IHBF CC1=CN2C=C(C)N(CC(=O)c3ccc(I)c([N+](=O)[O-])c3)[C]2C=C1 2356840840 OYRARRQMWNDMON-UHFFFAOYSA-N 436.229 3.824 5 1 IHBF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051601 LRSAWGTWCSRYGE-FRMWTETBSA-N 445.903 3.863 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccnc(Br)c2[nH]1 587264788 SWKHQTQGCMSTOA-VIFPVBQESA-N 435.234 3.980 5 1 IHBF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775692 DIODDJCCWHGABS-TZMCWYRMSA-N 449.504 3.701 5 1 IHBF CC(C)(C)n1nnnc1[C@@H](c1cccc([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc23)C1 1857774204 NQNRIHPNLIXJDJ-OAQYLSRUSA-N 431.500 3.965 5 1 IHBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743351 AOPMCNCOGKGAQP-WLRWDXFRSA-N 437.265 3.837 5 1 IHBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 49784434 JFLATWYOHSKCDI-OAQYLSRUSA-N 440.427 3.885 5 1 IHBF O=C1c2ccc(O)cc2O[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)[C@@H]1c1ccc(F)cc1 587338819 RTQSWPWMDOJAHA-OFNKIYASSA-N 437.379 3.865 5 1 IHBF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])Cc1ccccc1 1772573187 XMBJUJIJDVFEFD-WQHODERWSA-N 439.512 3.845 5 1 IHBF CCOC(=O)CCCn1c(=O)c2c3ccccc3n(C)c2n2nnc(-c3ccccc3)c12 29054928 WIWJRZVDUNLONJ-UHFFFAOYSA-N 429.480 3.546 5 1 IHBF Cc1cc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2cc1[N+](=O)[O-] 586950096 ABZXVXMIJGBPSH-UHFFFAOYSA-N 429.502 3.712 5 1 IHBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 13878916 XLSJJURYPDVBLH-HXUWFJFHSA-N 436.443 3.693 5 3 IHBF O=C(N[C@H](CO)CSCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084475 KTSMEKRSIUPXFY-MRXNPFEDSA-N 429.523 3.742 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 115606614 DIZRPICDSULNDS-LBPRGKRZSA-N 436.346 3.840 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1 587264313 LGQXFJDKXRQMOH-ANRSDYALSA-N 441.322 3.812 5 1 IHBF O=[N+]([O-])c1ccc([C@]2(c3ccc(C4OCCO4)s3)NCCc3nc4ccccn4c32)cc1 962984535 DKUCPKAWHCERJN-HSZRJFAPSA-N 448.504 3.787 5 1 IHBF O=C1C[C@@H]2OCC=C3C[N+]4(Cc5ccccc5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 40496766 GUZRLBNFMNLPRF-OPZGMFQTSA-N 425.552 3.808 5 1 IHBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@@H]([N+](=O)[O-])[C@H]1CCCN12 221598929 BWZNUPNRUDEHSP-FTEYMNFISA-N 428.286 3.504 5 1 IHBF O=C(O)CCN(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 587193798 QXSDEBACUPHHOU-UHFFFAOYSA-N 447.289 3.753 5 1 IHBF CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccc(OC)cc1 13738598 RYAABZGBRXWWNM-UHFFFAOYSA-N 425.485 3.892 5 1 IHBF Cc1onc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079671 LUVDYLGAJXPHDQ-UHFFFAOYSA-N 427.730 3.747 5 1 IHBF Cc1ccc2c(c1)ncc1c(=O)n(CCCCN3CCN(c4ccc(F)cc4)CC3)cnc12 72106599 MTOJNCGXSBCHQT-UHFFFAOYSA-N 445.542 3.995 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 587264377 MRXYVWXVWWALRQ-KGFZYKRKSA-N 427.204 3.615 5 1 IHBF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 82135309 WMCVAWSFGZYOOR-IAGOWNOFSA-N 439.516 3.539 5 1 IHBF C[N+](C)(C)CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 263614408 JGICZTZSFPGMOK-UHFFFAOYSA-N 426.342 3.792 5 1 IHBF in-vitro CN(Cc1cccc(F)c1)C(=O)c1cnc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 84723992 FQPVDBNCZQKCSP-UHFFFAOYSA-N 449.485 3.533 5 1 IHBF COc1ccc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc1O 238774720 IIGIBTAYRMNPFL-TZIWHRDSSA-N 436.416 3.542 5 1 IHBF COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCC[C@@H]1C3 473118026 KFVCNVRVOFDSOL-OAHLLOKOSA-N 426.538 3.902 5 1 IHBF CN(C)Cc1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2C[C@@H](CO)C5)C(=O)NC3 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442.947 3.952 5 1 IHBF CN1OC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3Br)C[C@@H]21 199734685 MNILZLJCWWHAPC-JVPBZIDWSA-N 446.301 3.806 5 3 IHBF COc1cc2c(cc1OC)[C@H](c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N(C)[C@@H](C)C2 962568029 KQXKLIOEOYQDMJ-FKIZINRSSA-N 441.513 3.847 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)c(C)c3[nH]2)cc1[N+](=O)[O-] 586940945 LDGPYBGALPTDJL-UHFFFAOYSA-N 426.907 3.633 5 1 IHBF O=[N+]([O-])c1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12 586957800 FCUCUTMBHJCDDP-XYPHTWIQSA-N 427.486 3.561 5 1 IHBF CCN(CC)CCn1[nH]c2c3cc(OC)ccc3nc3c([N+](=O)[O-])cc([N+](=O)[O-])c1c32 27104803 UHVKPRMCAAIQOZ-UHFFFAOYSA-N 426.433 3.838 5 1 IHBF Cc1ccc(C)c(C2=C(OC(=O)Cc3ccc([N+](=O)[O-])cc3)C3(CCC(=O)CC3)NC2=O)c1 103210509 LJWYFYDASDZJJI-UHFFFAOYSA-N 448.475 3.720 5 1 IHBF O=c1nc(N2CCC3(CC2)OCCS3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 96910807 DNPDZWROTIRCAW-UHFFFAOYSA-N 433.433 3.643 5 1 IHBF Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 35827443 AGSVTLZNGJQSKY-UHFFFAOYSA-N 432.893 3.880 5 1 IHBF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)[C@H]1c1ccc(F)cc1 587338817 RTQSWPWMDOJAHA-NZQKXSOJSA-N 437.379 3.865 5 1 IHBF C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@@H]6C[C@@H](O)CC[C@@]6(C)[C@H]5C[C@H]4[C@H]3C[N@@+]2([O-])C1 255197640 BBAXNNBTFRECAH-IRDDCHTISA-N 447.660 3.691 5 1 IHBF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1 255197642 BBAXNNBTFRECAH-SQDLGRJYSA-N 447.660 3.691 5 1 IHBF CCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br 587265361 PJQHOYRQMDYDFJ-LBPRGKRZSA-N 435.278 3.971 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587750542 IPBDUXDIGROBIV-MLCYQJTMSA-N 435.253 3.958 5 1 IHBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCC(F)(F)F 82195388 ZQGXBGMPWQVTHH-LBPRGKRZSA-N 434.465 3.930 5 1 IHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)nn2)c1 587268853 BZCLPNGZMLEGCP-UHFFFAOYSA-N 425.277 3.768 5 1 IHBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O 587472553 JQELWRBUVUIXSC-HSZRJFAPSA-N 426.469 3.970 5 1 IHBF CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 587655785 ATYSSQQREBDXTJ-GOSISDBHSA-N 439.378 3.738 5 1 IHBF CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 13878939 IYYWYJJJLKZLMM-INIZCTEOSA-N 449.305 3.524 5 3 IHBF CC(C)C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)on2)[C@@H](CC(C)C)C(=O)N1 103265341 SMKVZJRUGROSTM-LPHOPBHVSA-N 428.489 3.651 5 1 IHBF Cc1cccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2cccc3c2OCCO3)c1 169337265 OZZSCROGSWHASK-HJWRWDBZSA-N 435.436 3.898 5 1 IHBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cc([N+](=O)[O-])ccc1F 963144769 MIWOUFLBCNLZEY-AUUYWEPGSA-N 437.449 3.700 5 1 IHBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)OCCCN1CCOCC1 1772571821 GHJRBYBCBGDHDJ-UHFFFAOYSA-N 432.524 3.783 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 115606616 DIZRPICDSULNDS-GFCCVEGCSA-N 436.346 3.840 5 1 IHBF Cc1nn(Cc2cccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2)c(C)c1[N+](=O)[O-] 587652875 LYOFZZZTCXLOGK-UHFFFAOYSA-N 437.843 3.508 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587264418 RLJAIEIKKRRUNI-MRVPVSSYSA-N 425.323 3.583 5 1 IHBF COc1cc2oc3cc(OCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c2cc1OC 1857751028 GMJRTIJQWARCMD-UHFFFAOYSA-N 433.413 3.817 5 1 IHBF Cc1cc(N(C)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c([N+](=O)[O-])cc1F 587137411 YWVCTUCLGVKBKE-UHFFFAOYSA-N 437.435 3.614 5 1 IHBF O=[N+]([O-])c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F 587169628 FGZCSQBHGYBYHE-LJQANCHMSA-N 444.419 3.817 5 1 IHBF Cn1cc(N(Cc2ccc(CO)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1 40933232 YIOMJUPBPLUQTK-UHFFFAOYSA-N 434.496 4.000 5 1 IHBF C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4c(Br)cccc34)C(=O)[C@@H]12 101451603 GHDSEDNFPONYAJ-JSJNYSNDSA-N 445.269 3.958 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2c(C)nc3ccc(Cl)cn23)n1 28640708 QIKXXCYXJXZMOW-UHFFFAOYSA-N 431.861 3.613 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F 587868439 NBYZIHQLAVUQHQ-UHFFFAOYSA-N 440.309 3.739 5 1 IHBF C[N+]1(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CCNCC1 40955919 HHDQGEZFNNCRTR-UHFFFAOYSA-O 444.555 3.562 5 1 IHBF C[C@]1(CN2CCc3nc(-c4ccc(Cl)cc4F)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857568647 WLMFGTQFWMALGK-NRFANRHFSA-N 443.866 3.855 5 1 IHBF O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])o2)C[C@]1(O)c1ccccc1 5807965 LRCOUHYBNBBCLE-NRFANRHFSA-N 441.827 3.702 5 1 IHBF CC(C)(C)OC(=O)N[C@@H](C(=O)[C@H](N)Cc1ccccc1)/C(O)=C/c1ccc([N+](=O)[O-])cc1 100765005 TXPRYKACQLCAEN-UMWAXMNNSA-N 441.484 3.526 5 1 IHBF COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 169321890 JGTHMINPALUEFJ-AGDMDRQQSA-N 445.475 3.625 5 1 IHBF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc([N+](=O)[O-])cnc3[nH]1)C(=O)OC2 586914732 AJLOCGRLWIYWNR-NYYWCZLTSA-N 438.440 3.681 5 1 IHBF CN1CCN(CCn2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)CC1 1772644779 RKTZTSPRGYDTLB-UHFFFAOYSA-N 441.539 3.585 5 1 IHBF COc1cc2c(=O)n(CCn3ccnc3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5 1857631886 JLNDZZDERYKFIJ-UHFFFAOYSA-N 443.459 3.951 5 1 IHBF CN1CCN(c2nc(NCCc3ccc([N+](=O)[O-])cc3)c3cc(Cl)ccc3n2)CC1 45335658 NIVXGELVJXSEMX-UHFFFAOYSA-N 426.908 3.598 5 1 IHBF Cc1ccnc(NCCCCCCC(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 13472626 QXUZEPOJJWMXPE-LJQANCHMSA-N 428.489 3.993 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(S)nc(S)nc2[nH]1 587056814 UWWGZLKOQYFBGW-JTQLQIEISA-N 438.922 3.619 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587850686 RLJNCZUWFGQWDY-XLFHBGCDSA-N 443.294 3.524 5 1 IHBF COc1nn([C@@H](C)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] 587863180 SYBJWLRBYOKZCO-JTQLQIEISA-N 439.350 3.592 5 1 IHBF O=C(NN1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)n[nH]1 84690092 IMEIDOSSDXQVGU-IBGZPJMESA-N 443.872 3.557 5 1 IHBF COc1cc2c(C(=O)NCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 3950276 BGQFBCJQRHIJLC-UHFFFAOYSA-N 447.491 3.579 5 1 IHBF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051603 LRSAWGTWCSRYGE-OXTQRCDGSA-N 445.903 3.863 5 1 IHBF O=C1c2sccc2N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)N1Cc1ccccc1 29123915 GWARSQIBTIUUDO-UHFFFAOYSA-N 429.479 3.564 5 1 IHBF Cc1cc2c(cc1C)[n+](=O)c1cc(C(=O)N3CCN(c4ccccc4)CC3)c(C)cc1n2O 27216770 BFOKMDLECGIHEI-UHFFFAOYSA-N 443.527 3.834 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 587264919 QGBQVPVDRDHATM-CLAHSXSESA-N 425.323 3.932 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587049337 GYDDYYHZNWLDFE-VOTSOKGWSA-N 428.836 3.910 5 1 IHBF O=C(NCC1CC1)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1 82135340 RYMUXXVODMTZKU-UHFFFAOYSA-N 447.451 3.532 5 1 IHBF CCn1cc(Br)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)n1 587000178 GLVQQDUZQKLOEO-UHFFFAOYSA-N 429.072 3.803 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4c(Cl)cnc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263587 VPBQGCUOUXHFTM-UHFFFAOYSA-N 435.271 3.656 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cnc2[nH]1 587265274 VJBBHVIPBIXWQV-VIFPVBQESA-N 435.234 3.980 5 1 IHBF O=[N+]([O-])c1ccc(N2CCOCC2)c([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961618259 ZKNOKMVIPFGEET-HXUWFJFHSA-N 444.329 3.962 5 1 IHBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(CCO)CCO)c4c(C)c3c2c1 29546058 IASFTLBWFHWYIA-UHFFFAOYSA-N 436.556 3.583 5 1 IHBF CCCCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4 45498527 DFAQXQVGLQNYKH-UHFFFAOYSA-N 446.507 3.732 5 1 IHBF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 82149323 ZZVHFRFFVXERII-CQSZACIVSA-N 449.467 3.921 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 299861123 KLXSETXPGNIMQA-INIZCTEOSA-N 425.495 3.636 5 1 IHBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 586920086 LVCCPNXTFBWZJA-UHFFFAOYSA-N 435.767 3.997 5 1 IHBF O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1[N+](=O)[O-] 587183356 XRUOECCUVCZXNT-UHFFFAOYSA-N 428.117 3.790 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574681 GIALOPAOYNPUBX-NFBKMPQASA-N 435.388 3.721 5 1 IHBF Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-n2ccnc2)c(C)c1 1772590852 XOUSKESJJVGDBR-UHFFFAOYSA-N 430.472 3.773 5 1 IHBF COc1ccccc1-n1cc(-c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 1857572528 WXIDUXYVPQYEDZ-UHFFFAOYSA-N 436.449 3.684 5 1 IHBF Cc1c(Br)cnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 586928205 ZCELIHMGXNOWLM-UHFFFAOYSA-N 445.682 3.661 5 1 IHBF COCCNc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587261977 KNPUKIGYQDLKGG-UHFFFAOYSA-N 436.222 3.867 5 1 IHBF CC1=CN2[CH]C=CC(C)=C2N1CC(=O)c1ccc(I)c([N+](=O)[O-])c1 2356811263 VGUKZQRIUMGQOG-UHFFFAOYSA-N 436.229 3.824 5 1 IHBF C[C@@H](NC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 26157143 WJZVXNUMZCRQMH-NQIIRXRSSA-N 439.537 3.835 5 1 IHBF CCCCc1nc(CCCC)n(Cc2ccc(-n3cc([N+](=O)[O-])cc3-c3nnn[nH]3)cc2)n1 13861193 RZNUCHDVWZRVTL-UHFFFAOYSA-N 449.519 3.891 5 1 IHBF CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082713 LINHXJIVRIUIHW-SFHVURJKSA-N 449.529 3.833 5 1 IHBF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 963191991 XSXLCMXYLDPNDZ-WBMJQRKESA-N 440.765 3.832 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3cccc1c32 963031952 RZPJZYFWJGRMLN-SZNDQCEHSA-N 433.493 3.679 5 1 IHBF O=C1c2c(c3c4cc(O)ccc4[nH]c3c3cc4ccccc4cc23)C(=O)N1CCNCCO 28522951 DOYQOZPTFDKYFA-UHFFFAOYSA-N 439.471 3.511 5 1 IHBF O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CCCCC2)C1 82081438 WKEPYSBEALRBKD-HNNXBMFYSA-N 428.514 3.583 5 1 IHBF COCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 82147719 NPWDDZVMMPQLSK-UHFFFAOYSA-N 427.505 3.810 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265885 YGBUDTSZMNIZNL-SECBINFHSA-N 445.344 3.639 5 1 IHBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3cccnc3)cc(Cl)cn12 1857654742 VJYCPUPUPQTLIO-UHFFFAOYSA-N 428.857 3.932 5 1 IHBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccncc3)cc(Cl)cn12 1857769749 XUOGIPUOSDJDMW-UHFFFAOYSA-N 428.857 3.932 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 115604321 QQLOFOVQUMKHPJ-LBPRGKRZSA-N 436.346 3.840 5 1 IHBF O=C1CNC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587500 HMCINQLPQKMKSL-OAQYLSRUSA-N 446.463 3.589 5 1 IHBF O=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 169352593 ULTWFVLLKPONPF-NRFANRHFSA-N 439.447 3.631 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587055321 OOEOGAJFNUFAHK-SFHVURJKSA-N 443.847 3.583 5 1 IHBF CC(=O)Nc1ccc(C2=NN[C@](C)(C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)cc1 28710382 FPUAWRPFLJJPKB-IBGZPJMESA-N 449.389 3.667 5 1 IHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)cnc(Br)c2[nH]1 587267266 HYMPPZMFUOEYNX-UHFFFAOYSA-N 444.087 3.759 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 587872385 WSTVZVAOPYFZCM-UHFFFAOYSA-N 435.415 3.929 5 1 IHBF COc1cc2c3c(c1)O[C@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433069 MZFIBFCKSCSLCK-YADARESESA-N 431.400 3.993 5 1 IHBF O=[N+]([O-])c1ccc(S(=O)(=O)N2c3cc(F)c(F)cc3-c3n[nH]cc3[C@H]2C2CC2)cc1 45318445 LSUGDVXHXZWRSM-LJQANCHMSA-N 432.408 3.923 5 1 IHBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169714252 DYVFBYADFNZFNY-MJGOQNOKSA-N 441.470 3.576 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587752649 SOXNLHBALTUTCD-VFWANYGTSA-N 438.301 3.503 5 1 IHBF COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 221594828 JGTHMINPALUEFJ-KNAFXUBQSA-N 445.475 3.625 5 1 IHBF CC(=O)OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743353 AOPMCNCOGKGAQP-WYRIXSBYSA-N 437.265 3.837 5 1 IHBF COc1ccc(CCN2C(=S)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1OC 8671871 TXMIREQOUMZOEL-KKSFZXQISA-N 429.498 3.585 5 1 IHBF CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccccc1[N+](=O)[O-] 40585286 GROMXTKIGYUASF-INIZCTEOSA-N 445.859 3.728 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587262823 IDFOMHLURDHISR-LBPRGKRZSA-N 447.469 3.616 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cncc(Br)c3[nH]2)CC1 587270219 SOCRNFZSMDUCPX-UHFFFAOYSA-N 430.262 3.648 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(C)c3[nH]2)cc1[N+](=O)[O-] 586940736 DVEIQUAWTULHRC-UHFFFAOYSA-N 426.907 3.633 5 1 IHBF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587258245 CIHPPQNLNZUTEN-HNNXBMFYSA-N 434.412 3.951 5 1 IHBF COCCNc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 587262007 LWARVDHCTKIZND-UHFFFAOYSA-N 436.222 3.867 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 587270718 ZEJSYEVCLVDHEB-UHFFFAOYSA-N 430.262 3.648 5 1 IHBF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051604 LRSAWGTWCSRYGE-YBGRSWKWSA-N 445.903 3.863 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)c(F)c2[nH]1 587265018 RELSTECKUVIAKX-RWBAJPLHSA-N 427.751 3.845 5 1 IHBF Cc1nn(Cc2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1[N+](=O)[O-] 587266796 AROQBBZQQLETCN-UHFFFAOYSA-N 437.372 3.816 5 1 IHBF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)CC=CC4)cc2)cc1[N+](=O)[O-] 169718858 FNGPOOFFLUJCEA-UHFFFAOYSA-N 448.431 3.800 5 1 IHBF COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O 587433068 MZFIBFCKSCSLCK-CYFREDJKSA-N 431.400 3.993 5 1 IHBF O=C(O)c1cn2c3c(oc4ccc5ccccc5c42)c(N2CCNCC2)c(F)cc3c1=O 13781607 SXEXDEJVOVLGBG-UHFFFAOYSA-N 431.423 3.599 5 1 IHBF Cc1onc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079813 OLMCVEOQPCYFEJ-UHFFFAOYSA-N 430.705 3.889 5 1 IHBF CCOC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2F)CC1 103245448 RQSDFWMNVKHXHM-BJMVGYQFSA-N 442.447 3.664 5 1 IHBF O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1cccc(OC(F)(F)F)c1 473089662 SKIKEWGULIRFDO-GFCCVEGCSA-N 431.323 3.585 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc([N+](=O)[O-])c2C(=O)c2cccc([N+](=O)[O-])c21 587389596 LUFQGKVQRGMCTF-HSZRJFAPSA-N 445.387 3.847 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587851898 YBEPLTLZVHFYGW-XLFHBGCDSA-N 443.294 3.524 5 1 IHBF C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N+]2(O)C1 95919355 RDIYSMMXFMAATE-LSIVGDAKSA-N 448.668 3.582 5 1 IHBF biogenic,in-vitro CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc([N+](=O)[O-])ccc1F 963144772 MIWOUFLBCNLZEY-KUHUBIRLSA-N 437.449 3.700 5 1 IHBF Cc1onc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079768 NLOSFVCIWAPMKL-UHFFFAOYSA-N 442.798 3.658 5 1 IHBF Cc1c(C(=O)Nc2ccccc2)sc(NC(=O)c2csc([N+](=O)[O-])c2)c1C(N)=O 1857577577 ONRDHFVITMJVPL-UHFFFAOYSA-N 430.467 3.630 5 1 IHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587056599 SMUGVEGGTIBGEB-SJORKVTESA-N 430.852 3.975 5 1 IHBF CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCOC 82195818 MBGIZRDTUQQLBA-ZBEGNZNMSA-N 426.926 3.961 5 1 IHBF NC(=O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587118588 PPJDJGQIQOZWIX-UHFFFAOYSA-N 430.346 3.501 5 1 IHBF O=C1C[C@@H]2OCC=C3C[N+]4(CCc5ccccc5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 27518191 MEEUXKNSJKLXLV-ITALTHNESA-N 439.579 3.850 5 1 IHBF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccc([N+](=O)[O-])cc3)ccc1-2 220150948 VFXVCGBHKTXRDX-HXUWFJFHSA-N 449.463 3.511 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586925741 IMKBHLVSWFQWBW-UHFFFAOYSA-N 435.824 3.520 5 1 IHBF O=[N+]([O-])c1ccc(C[n+]2cn(Cc3c4c(cc5c3OCC5)OCC4)c3ccccc32)cc1 1772607296 SZNYKPXGFSUYBR-UHFFFAOYSA-N 428.468 3.803 5 1 IHBF CN(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CCc1ccc2ccccc2c1 40861906 AHFRNOMKDNFCHT-UHFFFAOYSA-N 446.551 3.961 5 1 IHBF CCOC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])cc1)n2CCCN1CCCC1=O 169353531 ZKVPZCNVOWNZMU-UHFFFAOYSA-N 436.468 3.801 5 1 IHBF O=C(Nc1cccc([N+](=O)[O-])c1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O 103176273 VAUDWAIMEYBSIM-SFHVURJKSA-N 425.507 3.898 5 1 IHBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587140995 LZXPSUJKTVDNPN-ZDUSSCGKSA-N 441.872 3.724 5 1 IHBF Cc1cc2c(cc1O)[C@@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)N[C@H](C(=O)O)C2 963524425 LBNHYVLRJFWEPT-KKSFZXQISA-N 442.399 3.608 5 1 IHBF O=C(CSc1nnnn1-c1ccc(Cl)c(Cl)c1)Nc1ccccc1[N+](=O)[O-] 34817568 OKLDUWPVBQYMOE-UHFFFAOYSA-N 425.257 3.608 5 1 IHBF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 84706556 RVSMHOADONLESA-QGZVFWFLSA-N 432.420 3.968 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 587270285 UQWICGVXOIDKFH-UHFFFAOYSA-N 430.262 3.648 5 1 IHBF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)O2)cc(OC)c1OC 40568046 ACWLNQJNWHLOLW-IBGZPJMESA-N 435.820 3.513 5 1 IHBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586937057 OXGWLFYDOJDHGQ-CYBMUJFWSA-N 440.934 3.897 5 1 IHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(I)cnc(Cl)c2[nH]1 587159779 YFGVUHJZKYGGDE-UHFFFAOYSA-N 448.579 3.842 5 1 IHBF COc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(I)c1 587179839 HMAWPISLISJFPR-UHFFFAOYSA-N 440.153 3.660 5 1 IHBF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134396 AGTUTJXAADYTOV-KXBFYZLASA-N 427.505 3.809 5 1 IHBF COC(=O)[C@H]1[C@H](c2ccc(-c3cc([N+](=O)[O-])c([N+](=O)[O-])s3)cc2)C[C@H]2CC[C@H]1N2C 253638426 QJUBSTXVPSUGAE-FSZRXZPDSA-N 431.470 3.971 5 1 IHBF COc1ccc(-c2nnc(-c3ccc4nc(-c5cnc(N)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 587268214 OYPMSWUWEVMXQW-UHFFFAOYSA-N 429.396 3.841 5 1 IHBF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] 587340603 WDSZAHSJUHHPCX-REHDZUJBSA-N 443.427 3.653 5 1 IHBF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)N1 962901724 KXKOFPCZAQOPDF-GBXCKJPGSA-N 446.438 3.695 5 1 IHBF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148751 RCKQIBTUJSGWGN-SJORKVTESA-N 439.516 3.539 5 1 IHBF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587203349 MBDMWAMETRMOKS-UHFFFAOYSA-N 426.389 3.896 5 1 IHBF O=C(N[C@@H]1CCCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc([N+](=O)[O-])c1 199411963 XKFQBOISNSHMER-GOSISDBHSA-N 435.402 3.925 5 3 IHBF COc1cc2cc(C(=O)N3CCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC 103202471 AYPSKZWXIXQTHK-SFHVURJKSA-N 439.464 3.717 5 1 IHBF CCOc1ccccc1[C@@](N)(c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(F)(F)F 587093638 WSHVCHCKFWMAPT-MRXNPFEDSA-N 425.323 3.543 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587849200 KCGUASQLVJTCKP-XLFHBGCDSA-N 443.294 3.524 5 1 IHBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC[C@@H]1CCCO1 82193304 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439.516 3.539 5 1 IHBF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 101008525 CYJMDICCNHFYPK-QAQDUYKDSA-N 434.500 3.757 5 1 IHBF C[N+]1(C)CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 163220174 KJKVZHYGNALYAZ-ZDUSSCGKSA-O 443.408 3.928 5 1 IHBF O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Cl 586942757 IOOHVURQMOHZDI-UHFFFAOYSA-N 449.703 3.952 5 1 IHBF CC(C)Oc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br 587264184 CJJPTMBJIMJAOZ-LBPRGKRZSA-N 435.278 3.969 5 1 IHBF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@H](O)C[C@H]2C1 26149035 DJJWXLVUVROWNW-LZTVBHMTSA-N 441.524 3.815 5 1 IHBF CCCCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1 82216877 JAFIKHUTIFNFEX-UHFFFAOYSA-N 449.467 3.923 5 1 IHBF COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 299822408 OQUNLJXPSVMGGF-UHFFFAOYSA-N 435.849 3.591 5 1 IHBF C[C@@H]1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 587340606 WDSZAHSJUHHPCX-RVALYQPYSA-N 443.427 3.653 5 1 IHBF CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NC[C@@H]1CCCO1 82193298 GJOSLAYNUAFCOQ-HOTGVXAUSA-N 436.559 3.547 5 1 IHBF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195881 JLJSVIARQZCLJE-BBRMVZONSA-N 436.921 3.636 5 1 IHBF CN1C(=O)C[C@H]2CN[C@H](c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3cccc1c32 963031947 RZPJZYFWJGRMLN-LHSJRXKWSA-N 433.493 3.679 5 1 IHBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050164 LPNWDTQVQZOXIG-WQZMEWCLSA-N 443.887 3.760 5 1 IHBF Cc1ccnc(NCCCCCCC(=O)N[C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 13472625 QXUZEPOJJWMXPE-IBGZPJMESA-N 428.489 3.993 5 1 IHBF COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 586974609 FLDSNDYWBLIRQX-HNNXBMFYSA-N 441.669 3.952 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587053446 FFPQAKCHVSATGK-SFHVURJKSA-N 443.891 3.953 5 1 IHBF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc([N+](=O)[O-])cc4)c3n2)CC1 40878505 IGRZKHDBESHLNL-UHFFFAOYSA-N 446.433 3.921 5 1 IHBF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 64540950 RJXVGDCEPNGFRJ-OAQYLSRUSA-N 447.451 3.639 5 1 IHBF O=[N+]([O-])c1ccccc1OCCNC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772647277 VFNSXXVAZKMPQN-QFIPXVFZSA-N 434.492 3.922 5 1 IHBF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174841 ANDZRRZFHJHANP-UHFFFAOYSA-N 434.481 3.877 5 1 IHBF COc1cccc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 95568522 RNUJIKYQMQYIEV-UHFFFAOYSA-N 441.435 3.536 5 1 IHBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+](=O)[O-])c4ccccc34)c(=O)n12 169718527 AMNOCXJZMUDZBX-SJCJKPOMSA-N 438.440 3.643 5 1 IHBF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 767216 LRSAWGTWCSRYGE-WVCOCCBZSA-N 445.903 3.863 5 1 IHBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc6ccccc6c5oc2c34)C1 13781604 XEKVSFQOGQZWKU-ZDUSSCGKSA-N 431.423 3.727 5 1 IHBF Nc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1 96168021 PTXRPICVGWFJBQ-UHFFFAOYSA-N 427.442 3.622 5 1 IHBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O 587430711 BKDPVWLMSUWGLF-QKKBWIMNSA-N 437.408 3.627 5 1 IHBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O 587472554 JQELWRBUVUIXSC-QHCPKHFHSA-N 426.469 3.970 5 1 IHBF O=C1C[C@]2(N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2cccc([N+](=O)[O-])c21 962925947 KHOPPUDZDSBIRP-CYFREDJKSA-N 446.415 3.522 5 1 IHBF CCCCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 40917740 SOYOYZLBGQMLBA-JOCHJYFZSA-N 445.470 3.655 5 1 IHBF COc1cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 963114050 VVXXJZINLUAPFC-XYZCENFISA-N 441.267 3.997 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587751302 LYVJQQREJDUOSN-YPMLDQLKSA-N 435.253 3.958 5 1 IHBF CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 775694 DIODDJCCWHGABS-OCCSQVGLSA-N 449.504 3.701 5 1 IHBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82159852 LHOCTYJZKDFZKX-UHFFFAOYSA-N 435.484 3.772 5 1 IHBF O=[N+]([O-])c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1[N+](=O)[O-] 587003970 YYJMMEBRQZRYGE-UHFFFAOYSA-N 431.206 3.734 5 1 IHBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC2Cc3ccccc3C2)[C@@H]1c1cccc([N+](=O)[O-])c1 49111181 AHZXPHRYECMLHI-HSZRJFAPSA-N 448.475 3.713 5 1 IHBF CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cccc([N+](=O)[O-])c12 587648689 JMYGIJFWZWLEAI-UHFFFAOYSA-N 427.413 3.611 5 1 IHBF CCOC(=O)CN(Cc1ccccc1)c1nc(NCCc2ccccc2)ncc1[N+](=O)[O-] 653859610 URBHAMGISFOPTF-UHFFFAOYSA-N 435.484 3.609 5 1 IHBF O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)c1 40423531 KHACXTBABNRQKV-UHFFFAOYSA-N 432.385 3.636 5 1 IHBF Cc1ccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2cccc3c2OCCO3)cc1 169337268 OHGXWDSTWBHOAK-KTKRTIGZSA-N 435.436 3.898 5 1 IHBF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 13445240 QQFPCMYQGJRPSV-NRFANRHFSA-N 434.448 3.625 5 1 IHBF O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1ncc2ccc(Cl)cc2c1=O 587653555 YLPGLEXKMBWARU-UHFFFAOYSA-N 425.784 3.819 5 1 IHBF O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc2cc3ccccc3cc2c1 49808522 XSSAJCASNQNVCP-UHFFFAOYSA-N 425.531 3.529 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cnccn3)c2c1 587621150 PXUVOWQCLORORK-UHFFFAOYSA-N 439.453 3.651 5 1 IHBF O=C(COc1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656771 NQKHYFYRCYZEKT-UHFFFAOYSA-N 437.358 3.969 5 1 IHBF CCOC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccc(I)cc12 1911573198 GGGROOISTBHUJA-UHFFFAOYSA-N 446.244 3.795 5 1 IHBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O 963114046 VVXXJZINLUAPFC-VVVCHXIZSA-N 441.267 3.997 5 1 IHBF CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 13646506 IWQFYHUNPNJZET-QFIPXVFZSA-N 432.480 3.641 5 1 IHBF COc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(N)=O)cc3)c(=O)c2c1 58569163 YJOCLYCUGNNODF-LFYBBSHMSA-N 442.431 3.572 5 1 IHBF COc1ccc([N+](=O)[O-])c([C@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963197760 UFEBZXUYASONHH-BLLLJJGKSA-N 430.766 3.964 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3nccn3C)c(C)c2c1 587620926 KSTBIPAWVCOMOI-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF CC(C)(C)C1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 198851880 UZNZLWRLAMDPHQ-UHFFFAOYSA-N 435.502 3.887 5 3 IHBF COc1cc2cc(C(=O)N3CCC[C@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC 103174322 UZPZQOMXMSCGNN-HNNXBMFYSA-N 425.481 3.624 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 587746352 JPXKZYZQGRPJFZ-NIVTXAMTSA-N 439.237 3.583 5 1 IHBF COP(=O)(OC)[C@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 103210580 PMFBERJZCPKIOW-KRWDZBQOSA-N 440.301 3.610 5 1 IHBF CN(C)CCN1C(=O)c2cccc3cc4ccc(I)cc4c(c23)C1=O 27557835 MLEXXHFNLOUINT-UHFFFAOYSA-N 444.272 3.755 5 1 IHBF CC(=O)NCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163884 CUMFQXJSLZNNEF-UHFFFAOYSA-N 434.481 3.877 5 1 IHBF COc1cccc(-n2nnc(-c3ccccc3NC(=O)Nc3ccccc3[N+](=O)[O-])n2)c1 1772656645 NLOHMGLKEDWSDR-UHFFFAOYSA-N 431.412 3.890 5 1 IHBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 103219718 XFUQXGZFYAZAFI-QGZVFWFLSA-N 431.284 3.980 5 1 IHBF COc1ccc(-c2nnc(-c3ccc4nc(Cn5c([N+](=O)[O-])cnc5C)[nH]c4c3)o2)cc1 587274486 PDVTXVURANLOFS-UHFFFAOYSA-N 431.412 3.750 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587751299 LYVJQQREJDUOSN-MGNBDDOMSA-N 435.253 3.958 5 1 IHBF N=C(N)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1 587117383 CQIOAONIXBJNOK-UHFFFAOYSA-N 429.362 3.686 5 1 IHBF O=C(NCCOc1ccccc1)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 82195702 ALKNETAGXQMKDZ-HXUWFJFHSA-N 438.509 3.882 5 1 IHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587269059 JIPFXAQOAUZKAZ-UHFFFAOYSA-N 431.456 3.798 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 587744158 CNCDIVGEFNSALF-GFCCVEGCSA-N 435.297 3.921 5 1 IHBF CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC[C@H]1CCCO1 82193306 KYWXPXBEGLVLCP-CVEARBPZSA-N 436.559 3.547 5 1 IHBF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 963188174 VUMXHNQCADEYNG-SWLSCSKDSA-N 440.765 3.603 5 1 IHBF CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C 587662311 ZFKSJEKCRMBOSQ-GOSISDBHSA-N 435.415 3.907 5 1 IHBF CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 586985228 LUEXDXGGBBBVSD-LBPRGKRZSA-N 448.233 3.562 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 587748575 VSOWOLLPJHHPIG-LZVRBXCZSA-N 439.237 3.583 5 1 IHBF O=c1cc(N2CCN(c3nccs3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857551913 WHSKHRCOFMBCTB-UHFFFAOYSA-N 442.444 3.972 5 1 IHBF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587041531 XBQIPPHGRWRTRT-QGZVFWFLSA-N 443.441 3.666 5 1 IHBF O=C(c1cc(F)c(F)c(F)c1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 587276206 JYAWIRRYAYDCDY-UHFFFAOYSA-N 431.120 3.639 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587049335 GYDDYYHZNWLDFE-SREVYHEPSA-N 428.836 3.910 5 1 IHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)cnc(Br)c2[nH]1 587270888 STEMBXLLOHXYNH-JTQLQIEISA-N 441.083 3.634 5 1 IHBF O=C(O)c1cn2c3cc4ccccc4cc3oc3c(N4CCNCC4)c(F)cc(c1=O)c32 13781609 QXXTYULODZEBMY-UHFFFAOYSA-N 431.423 3.599 5 1 IHBF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587000146 MXCBJIPOXVDVGE-UHFFFAOYSA-N 447.157 3.621 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@](C[C@@H]3CCC[C@H]3C(=O)O)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015717 AAADWQSVADGNQS-DSPLRDNKSA-N 449.507 3.783 5 1 IHBF C[C@H]1COC2(CCN(c3cc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O1 103149535 MILAKFJGQVDHRT-JTQLQIEISA-N 430.404 3.920 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cnc2[nH]1 586948424 IATVYTPNDOOGEY-UHFFFAOYSA-N 427.417 3.781 5 1 IHBF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 10450397 XZXVVSFNZHUCDU-JTQLQIEISA-N 433.269 3.566 5 1 IHBF CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C 586933629 UOSJQLWCYOHKIF-LBPRGKRZSA-N 433.328 3.650 5 1 IHBF O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F 586951207 QRPYHVWESFFSTJ-UHFFFAOYSA-N 433.465 3.542 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4cc(Cl)nc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262918 IETOCIPFEGVOGW-UHFFFAOYSA-N 435.271 3.656 5 1 IHBF O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(-c2ccccc2)cn1 1857564205 NHRLKYCHNILKBJ-UHFFFAOYSA-N 430.420 3.672 5 1 IHBF CCC1(CC)C(=O)N(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27210417 YDNWGSUFTIIDAZ-HXUWFJFHSA-N 441.440 3.556 5 1 IHBF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1 82135383 ZGGZKWNOUXHAMG-UHFFFAOYSA-N 447.451 3.629 5 1 IHBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587120970 LKNPCHFRUHCAOX-UHFFFAOYSA-N 440.769 3.548 5 1 IHBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)cc1 586955878 YBVFYGKEFFKFSH-UHFFFAOYSA-N 429.502 3.558 5 1 IHBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 587264597 OBDFOHJRJHAQHA-INWYIAFRSA-N 427.204 3.615 5 1 IHBF CC(C)(C)n1nnnc1[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)C1 1857649845 MNGFHFLEZXPZFQ-OAQYLSRUSA-N 431.500 3.965 5 1 IHBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCC(=O)O 1633151 ODJDZYFHAFWCHK-UHFFFAOYSA-N 439.464 3.781 5 1 IHBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(C(=O)N(C)C)CCN1C3 72112478 MVDKBMSSQVKYIM-MRXNPFEDSA-N 449.551 3.743 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587056107 SMUGVEGGTIBGEB-DLBZAZTESA-N 430.852 3.975 5 1 IHBF CC/C=C/OCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4 26985661 KYRVMHMKHSGUJD-AATRIKPKSA-N 435.436 3.742 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 587264673 PIHSXHMIJOLQNN-RMLUDKJBSA-N 436.222 3.676 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cnc2[nH]1 587265272 VJBBHVIPBIXWQV-SECBINFHSA-N 435.234 3.980 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccnn3C)c(C)c2c1 587620300 BMFHPEQJRLYSIW-UHFFFAOYSA-N 441.469 3.594 5 1 IHBF Cc1cccc(CNc2ccc([C@@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])c1 13878904 XFRXPOPJGPABJE-OAQYLSRUSA-N 432.480 3.862 5 3 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nccc3C)c2c1 587620927 JFKIRSINEMPLKT-UHFFFAOYSA-N 441.469 3.688 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587754106 XPECTHNJMSTFHC-YVDSMGGKSA-N 447.260 3.676 5 1 IHBF CN1C(=O)C[C@H]2CN[C@@](C[C@@H]3CCC[C@H]3C(=O)O)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015718 AAADWQSVADGNQS-HFEDVRCTSA-N 449.507 3.783 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587750579 IUGOKHMHRWUMJV-NKVCJQQFSA-N 447.260 3.676 5 1 IHBF CCN(CC)CCn1nc2c3ccccc3sc3c(NCCNCCO)ccc1c32 29311859 RAMDFKOSIVSKDD-UHFFFAOYSA-N 425.602 3.740 5 1 IHBF O=C(Nc1cccc([N+](=O)[O-])c1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O 103176270 VAUDWAIMEYBSIM-GOSISDBHSA-N 425.507 3.898 5 1 IHBF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586935938 KBVFIGWOISGASL-INIZCTEOSA-N 434.543 3.861 5 1 IHBF N[C@@H](CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271045 YCAHPSBLJNLSCO-IBGZPJMESA-N 443.463 3.601 5 1 IHBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F 169714253 DYVFBYADFNZFNY-HKUYNNGSSA-N 441.470 3.576 5 1 IHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473345 SGDGPRUIVXPSCO-VOJFVSQTSA-N 445.424 3.820 5 1 IHBF CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 72136135 JFLBMAPGSKNWOW-UZLBHIALSA-N 430.482 3.609 5 3 IHBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587140994 LZXPSUJKTVDNPN-CYBMUJFWSA-N 441.872 3.724 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 587868674 OJDDYYKBSNQXDX-LLVKDONJSA-N 436.346 3.988 5 1 IHBF COc1ccccc1CCNC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135947 CWSOKHQZOGDCGI-UHFFFAOYSA-N 447.495 3.855 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncc(Br)c2[nH]1 587262813 IBQGCZQVNGOPGM-SECBINFHSA-N 435.234 3.980 5 1 IHBF CCOC(=O)CCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12 1772652031 XNMNEGKCTMICKE-UHFFFAOYSA-N 441.285 3.524 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961460 ROLLMYZBTUAWGE-XWIAVFTESA-N 427.486 3.561 5 1 IHBF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 100705963 XGACHQYFJNIBCZ-UHFFFAOYSA-N 449.492 3.854 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1 586948686 KQPSCWXXNXSKIZ-UHFFFAOYSA-N 438.465 3.740 5 1 IHBF CC(C)(C)n1nnnc1[C@H](c1cccc([N+](=O)[O-])c1)N1CCc2c([nH]c3ccccc23)C1 1857774202 NQNRIHPNLIXJDJ-NRFANRHFSA-N 431.500 3.965 5 1 IHBF CCOc1n[nH]c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1Br 586979941 YTYCMCURIWRFEH-UHFFFAOYSA-N 431.044 3.785 5 1 IHBF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F 169714250 DYVFBYADFNZFNY-IEBWSBKVSA-N 441.470 3.576 5 1 IHBF CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C)c([N+](=O)[O-])c2)CC1 13814849 CVAUURCTSNKGEZ-CSKARUKUSA-N 425.510 3.758 5 1 IHBF COCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1 82135547 QICGLROUVSQRDZ-HZPDHXFCSA-N 427.505 3.618 5 1 IHBF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCc3ccc([N+](=O)[O-])cc3)ccc1-2 220150875 VFXVCGBHKTXRDX-FQEVSTJZSA-N 449.463 3.511 5 1 IHBF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1cc([N+](=O)[O-])ccc12 1772630448 SRXDWVKKGRKSHF-UHFFFAOYSA-N 441.403 3.642 5 1 IHBF COc1cc2c(=O)n(CCN(C)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 28520739 MJFHEXDORASVHJ-UHFFFAOYSA-N 449.507 3.789 5 1 IHBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586924909 CHJBZTSVCIBGBU-UHFFFAOYSA-N 430.489 3.878 5 1 IHBF O=C1CC=C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)NN1Cc1ccc(F)cc1 587162494 CWZYODZSUHAPSM-UHFFFAOYSA-N 446.236 3.651 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc(C)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 586941160 PKVMZGKSWLVYRE-UHFFFAOYSA-N 426.907 3.633 5 1 IHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587053444 FFPQAKCHVSATGK-GOSISDBHSA-N 443.891 3.953 5 1 IHBF CN(c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 299866862 PPDZFWNKLVDERI-UHFFFAOYSA-N 448.464 3.840 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(C)no3)c2c1 587621486 VXMYSRJNGRGIMH-UHFFFAOYSA-N 443.441 3.552 5 1 IHBF Cc1ccc2ncc3c(=O)n(CCCCN4CCN(c5ccc(F)cc5)CC4)cnc3c2c1 72121366 YJOCTTNSLWGYSG-UHFFFAOYSA-N 445.542 3.995 5 1 IHBF O=C(Nc1ccc(NS(=O)(=O)C(F)(F)F)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 1857611875 SGGNJJGYCJZWSH-UHFFFAOYSA-N 441.746 3.901 5 1 IHBF CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(O)ccc4c3c2c1=O 38654876 JBCFWJIRALRSCK-UHFFFAOYSA-N 429.432 3.756 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 587264676 PIHSXHMIJOLQNN-XLKFXECMSA-N 436.222 3.676 5 1 IHBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCN[C@H](CO)C2)cc1[N+](=O)[O-] 13863822 UDMVPCPDQWLIDT-LNENJAERSA-N 441.553 3.675 5 1 IHBF O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8671161 IMTLAJUSIIVOOU-UHFFFAOYSA-N 425.514 3.692 5 3 IHBF aggregator C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 587265525 VNEDXFJEMCTQGP-XLKFXECMSA-N 441.322 3.812 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21 587388658 FNBFDMVLPFLYGE-XMMPIXPASA-N 429.432 3.893 5 1 IHBF COc1cc2c3c(c1)O[C@]1(C(=O)N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431371 DQFHQKQKLWAPNJ-DFBJGRDBSA-N 442.427 3.793 5 1 IHBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 13840033 OJNQCUZKRUOLMJ-JTQLQIEISA-N 433.269 3.566 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 587261293 ANMORKZURXCFRJ-LBPRGKRZSA-N 427.413 3.984 5 1 IHBF Cc1cc(-c2nnc(CNC(=O)c3ccccc3)o2)c2nc(O)c3ccccc3c(=O)c2c1 1857644124 YLBHZDNSEIZEBR-UHFFFAOYSA-N 438.443 3.742 5 1 IHBF Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577889 UKTMEEUHESDTCP-HYBUGGRVSA-N 443.415 3.939 5 1 IHBF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049440 YUXQIZGBEQGIOP-CTNGQTDRSA-N 444.919 3.798 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1 586948252 FOLBHWVLNUYLSW-UHFFFAOYSA-N 444.860 3.642 5 1 IHBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 13560032 KCQIZWWVFUPGSJ-UHFFFAOYSA-N 436.490 3.955 5 1 IHBF CSc1ccc([C@@H]2c3c(c4cccnc4c4ncccc34)N[C@@]3(O)COC(=O)[C@H]23)cc1 653689996 NJPBRXUNMLLTIY-YIGJPRQDSA-N 429.501 3.924 5 1 IHBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 1772571985 LRKYRTWYRDGESF-UHFFFAOYSA-N 448.504 3.807 5 1 IHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(OC(F)(F)F)cc3)ccn1)C2 66262920 CWVGCVRKLNJQBW-INIZCTEOSA-N 436.346 3.730 5 1 IHBF O=C(COC(=O)c1c2c3cccc4cccc(c-2nc1=O)c43)OCC(F)(F)C(F)(F)F 71281719 JPNDAAWSWYGGJX-UHFFFAOYSA-N 439.292 3.626 5 1 IHBF O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCN(c2ccccc2Cl)CC1 103296185 RYJGDGCCBIZHPU-LJQANCHMSA-N 442.947 3.809 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@@](C[C@@H]3CCC[C@H]3C(=O)O)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015716 AAADWQSVADGNQS-DBDPQTRRSA-N 449.507 3.783 5 1 IHBF COc1cccc(N2CCN(C(=O)Cn3c4ccccc4c(=O)c4cc(C)ccc43)CC2)c1 9861311 XSLGAWQOAYFNSA-UHFFFAOYSA-N 441.531 3.821 5 1 IHBF O=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2c(Br)cc(Br)cc21 28711814 JIGYSRMJOSNYNK-UHFFFAOYSA-N 440.047 3.849 5 1 IHBF CC[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(I)c(C)n1 587185955 QNJOYUXYEMUCQH-GFCCVEGCSA-N 429.193 3.719 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(F)(F)F)c2[nH]1 587264922 QGBQVPVDRDHATM-XLKFXECMSA-N 425.323 3.932 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587750541 IPBDUXDIGROBIV-MGNBDDOMSA-N 435.253 3.958 5 1 IHBF COc1cc(OCc2nc3ccc(I)cc3[nH]2)ccc1[N+](=O)[O-] 587262983 JXZSVKAXOLSQNJ-UHFFFAOYSA-N 425.182 3.663 5 1 IHBF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1 963191985 XSXLCMXYLDPNDZ-BLLLJJGKSA-N 440.765 3.832 5 1 IHBF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 84706555 RVSMHOADONLESA-KRWDZBQOSA-N 432.420 3.968 5 1 IHBF O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1cccc([N+](=O)[O-])c1 169321832 DLILSDHLHJMTGR-ZZLPTCMGSA-N 430.420 3.516 5 1 IHBF CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 1911571898 FXJAQRBXWJTJGC-UHFFFAOYSA-N 430.508 3.866 5 1 IHBF CC1=C(c2ccc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3c2)NNC(=O)C1 586979587 GEDKXYVGLMTUNB-UHFFFAOYSA-N 442.273 3.965 5 1 IHBF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1 82148215 BTDVIVIDLSOCTR-UHFFFAOYSA-N 449.511 3.781 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 587747947 RABRURQODPSMPI-NIVTXAMTSA-N 439.237 3.583 5 1 IHBF CCOC(=O)C1=C(C)N=C(Cn2ccnc2)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 27736639 XTNTUTBUNSWCMR-QGWGWZPUSA-N 440.456 3.673 5 1 IHBF COc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82135499 MLUMFJKEJLKBCN-UHFFFAOYSA-N 447.495 3.951 5 1 IHBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc([N+](=O)[O-])c1 587137113 UFHGVIDVSKLSDA-UHFFFAOYSA-N 426.429 3.900 5 1 IHBF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)[nH]1 1857606941 FBQGGEPFDQAXDO-OAHLLOKOSA-N 432.868 3.581 5 1 IHBF CC1CCC(NC(=O)NCCn2c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)CC1 103167155 BRQISHFZUSPVMW-UHFFFAOYSA-N 449.511 3.850 5 1 IHBF C[N+]1(C)CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 163220064 KJKVZHYGNALYAZ-CYBMUJFWSA-O 443.408 3.928 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 587872508 ZETJADDLBUFACV-UHFFFAOYSA-N 435.415 3.929 5 1 IHBF O=C(N[C@@H](CSCc1ccccc1)C(=O)O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084473 ZWZFQHPUKAMLOG-KRWDZBQOSA-N 443.506 3.835 5 1 IHBF COc1cccc2cc3c(nc12)[C@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)NCC3 963047920 QKQNIQKFDUQBRF-DEOSSOPVSA-N 434.496 3.579 5 1 IHBF CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1nc([N+](=O)[O-])cc1C 587868923 XCZOUJPJNYUUGM-CYBMUJFWSA-N 438.366 3.677 5 1 IHBF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4049441 YUXQIZGBEQGIOP-PZJWPPBQSA-N 444.919 3.798 5 1 IHBF N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587184458 UCANBCUHGVOZMA-NSHDSACASA-N 442.644 3.972 5 1 IHBF COc1cc2c3c(c1)O[C@]1(CCOc4c([N+](=O)[O-])cc(Br)cc41)[C@@H](C2)C3=O 587418453 QPCBQAUZEKJZLY-HXPMCKFVSA-N 432.226 3.791 5 1 IHBF COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2CO)cc1O 2356575314 IIGIBTAYRMNPFL-FPOVZHCZSA-N 436.416 3.542 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccc([N+](=O)[O-])n2)o1 587576440 JAOWSNTXDOLLBY-SIKLNZKXSA-N 433.376 3.841 5 1 IHBF Cc1ccc2c(ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c32)n1 587263297 QXHNLMOCMVCUMG-UHFFFAOYSA-N 430.468 3.811 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)nc(Cl)c2[nH]1 587265044 RPBWHTPQHBRCSA-QTTZVWFDSA-N 427.204 3.615 5 1 IHBF Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577890 UKTMEEUHESDTCP-RDPSFJRHSA-N 443.415 3.939 5 1 IHBF COc1ccc(CNS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)cc1 103299686 RJJJZAJXWGHOEO-UHFFFAOYSA-N 427.438 3.931 5 1 IHBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1 586949488 XKHXNUBIBGRTQE-UHFFFAOYSA-N 444.860 3.691 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587871215 CXRSYNIQBORGHE-UHFFFAOYSA-N 425.376 3.522 5 1 IHBF O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 13443357 HSBKAXRQTARVMQ-UHFFFAOYSA-N 442.497 3.628 5 1 IHBF COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572943 ANKGQCUZABSSEE-QPPBQGQZSA-N 449.415 3.807 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574682 GIALOPAOYNPUBX-NZQKXSOJSA-N 435.388 3.721 5 1 IHBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4206814 ZOMROAVDHGOVIW-UYAOXDASSA-N 445.859 3.985 5 1 IHBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1 49113902 HUCHXYSMXCKWIP-LJQANCHMSA-N 428.466 3.808 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587264355 QROAKJJPOKSEAL-NSHDSACASA-N 443.412 3.618 5 1 IHBF O=c1c(C(c2ccc([N+](=O)[O-])o2)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 4229260 QCOWINVTUYVTCV-UHFFFAOYSA-N 447.355 3.992 5 1 IHBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OCCN1CCOCC1 95581613 CXEIYLWLMNAHNO-UHFFFAOYSA-N 440.283 3.865 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 587748574 VSOWOLLPJHHPIG-DYBLOJMWSA-N 439.237 3.583 5 1 IHBF CCO[C@@H](C)Oc1cc2ncnc(Nc3ccc(OC)c([N+](=O)[O-])c3)c2c2c1OCCO2 653861633 AHIUTLRONNLURJ-GFCCVEGCSA-N 442.428 3.823 5 1 IHBF N[C@H](COc1cncc(-c2cc3cn[nH]c3cc2[N+](=O)[O-])c1)Cc1c[nH]c2ccccc12 14962164 UUZCIFFMEXAOMZ-KRWDZBQOSA-N 428.452 3.963 5 1 IHBF O=c1nc(N2CCN(CC3CCCCC3)CC2)oc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857533680 VWUIAFSDGJRMHO-UHFFFAOYSA-N 440.422 3.817 5 1 IHBF COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN)ccc32)cc(OC)c1 64528056 BLANGKXWNFIVEJ-UHFFFAOYSA-N 431.492 3.508 5 1 IHBF CCCCOCCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C 82082712 LINHXJIVRIUIHW-GOSISDBHSA-N 449.529 3.833 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586924538 BIGBPYZPQFRKAK-UHFFFAOYSA-N 430.667 3.958 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 587265522 VNEDXFJEMCTQGP-RMLUDKJBSA-N 441.322 3.812 5 1 IHBF CCOC(=O)CCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2n1C 49071849 HFDVDJLZRRQGEW-UHFFFAOYSA-N 428.420 3.759 5 1 IHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 587576370 ODRVVKUCBQXVSF-QPPBQGQZSA-N 448.431 3.840 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587116567 HUKZKWZOIOLYMI-UHFFFAOYSA-N 449.143 3.714 5 1 IHBF O=[N+]([O-])c1ccc(N2CCOCC2)c([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961618258 ZKNOKMVIPFGEET-FQEVSTJZSA-N 444.329 3.962 5 1 IHBF CC(C)(C)n1nnnc1[C@H](c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)C1 1857649844 MNGFHFLEZXPZFQ-NRFANRHFSA-N 431.500 3.965 5 1 IHBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCN[C@@H](CO)C2)cc1[N+](=O)[O-] 13863821 UDMVPCPDQWLIDT-XSFOEPMVSA-N 441.553 3.675 5 1 IHBF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)[nH]1 1857606940 FBQGGEPFDQAXDO-HNNXBMFYSA-N 432.868 3.581 5 1 IHBF N[C@@H](CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270551 MYYMGWMCJZRNIX-ZDUSSCGKSA-N 439.419 3.982 5 1 IHBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCCCC1)CC2 35033999 XREJKRJCFOAFLA-DEOSSOPVSA-N 439.512 3.572 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 586940920 KOGCJOXASUGAMI-UHFFFAOYSA-N 447.325 3.978 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 587744206 CNCDIVGEFNSALF-LBPRGKRZSA-N 435.297 3.921 5 1 IHBF COc1ccc2c(c1OC)C[N@+]1(CCCCC(=O)O)CCc3cc4c(cc3[C@@H]1C2)OCO4 1857552119 FCHHZLSVSLAMCB-FNZWTVRRSA-O 440.516 3.858 5 1 IHBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1 653847497 HTIYKESGNVPTIG-UHFFFAOYSA-N 426.370 3.757 5 1 IHBF NC(=O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 13878847 DDCAEUZTHGGZME-IBGZPJMESA-N 444.919 3.878 5 3 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587851896 YBEPLTLZVHFYGW-VVVCHXIZSA-N 443.294 3.524 5 1 IHBF CN1CCN(c2cnc3cc(C(F)(F)F)cc(OCc4cccc([N+](=O)[O-])c4)c3n2)CC1 40878508 JJFOOFWKIJYIQQ-UHFFFAOYSA-N 447.417 3.888 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)F)c2c1 587619499 HQFALJZCKIQENO-UHFFFAOYSA-N 439.396 3.642 5 1 IHBF COc1cc2c(cc1OC)S[C@H](C(=O)CC1(O)CC[N+](C)(Cc3ccccc3)CC1)C2 38151247 OFQUUTKEKIIUJE-IHSPPPAMSA-N 442.601 3.852 5 1 IHBF Cc1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587171174 LPXLWETZPWWVGE-HXUWFJFHSA-N 440.456 3.987 5 1 IHBF COc1ccccc1-c1ccc(C[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)O)cc1 13445243 JOCNCMRDJVNCQN-FQEVSTJZSA-N 434.448 3.625 5 1 IHBF NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 95588417 LKRHCZWLLVRMSI-UHFFFAOYSA-N 429.501 3.985 5 1 IHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccc(Br)c2[nH]1 587277253 RLAGEDRZNOHHHD-ZETCQYMHSA-N 429.072 3.996 5 1 IHBF CN1C(=O)C[C@H]2CN[C@](COc3ccccc3[N+](=O)[O-])(c3ccccc3)c3cccc1c32 963024800 LZLZEUYNYUBLAK-SSOJOUAXSA-N 429.476 3.971 5 1 IHBF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncccc3[N+](=O)[O-])CC2)N1 587746698 KGYJKQSCODVRTL-GFCCVEGCSA-N 435.297 3.921 5 1 IHBF CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(C)=O)C(=O)Nc1c(C)cccc1C 205861305 JFLIUKBIZAWEEB-QHCPKHFHSA-N 439.512 3.979 5 3 IHBF O=C([C@H]1CCCCN1Cc1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66166874 UAVVWGVYWGLLEB-JOCHJYFZSA-N 442.947 3.952 5 1 IHBF COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 49784433 JFLATWYOHSKCDI-NRFANRHFSA-N 440.427 3.885 5 1 IHBF COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2Cl)ccc1-n1cnc(Cl)c1 103235435 NXEMGKHWGAWUPB-UHFFFAOYSA-N 443.268 3.897 5 1 IHBF CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 587262780 HWYSNDVHOOFVLZ-CYBMUJFWSA-N 441.440 3.928 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263370 SCYQGOQTSNSRQU-UHFFFAOYSA-N 437.353 3.510 5 1 IHBF C[C@H]1CC[C@H]2[C@@](C)(O)[C@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@+]2([O-])C1 255197643 BBAXNNBTFRECAH-UXXUAAITSA-N 447.660 3.691 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940940 KYFWFCFOYQDQMZ-UHFFFAOYSA-N 447.325 3.978 5 1 IHBF COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1C(F)(F)F 653843522 RJPKPLCMDUGEFG-UHFFFAOYSA-N 438.406 3.626 5 1 IHBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1ccc(F)cc1[N+](=O)[O-] 963137071 HEZYFHPDPVJQRJ-LIRRHRJNSA-N 437.449 3.700 5 1 IHBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1 82083032 VQZISPUAQBBVON-CQSZACIVSA-N 428.514 3.843 5 1 IHBF CN1C(=O)C[C@H]2CN[C@](C[C@@H]3CCC[C@H]3C(=O)O)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32 963015719 AAADWQSVADGNQS-YOTPLQQOSA-N 449.507 3.783 5 1 IHBF O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1c3ccccc3cc3ccccc13)C(=O)O)C2=O 13816029 BSAXSZXLQUMCMX-JOCHJYFZSA-N 439.423 3.983 5 1 IHBF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 169350446 PUAAKALCENALRX-YAAVIUAOSA-N 441.480 3.579 5 1 IHBF C[C@@H]1C[C@@H](O)[C@H]2[C@H](C)[C@@H]3CC[C@H]4C5=C(C[C@H]4[C@@H]3C[N@+]2([O-])C1)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@H](O)C5 255225804 LGEKLFARCHYXFX-ZZKIJAJTSA-N 445.644 3.611 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])N(C)[C@@H](C)C2 962619595 DSZFGEPVWJEPEQ-PSLXWICFSA-N 444.484 3.821 5 1 IHBF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147729 RDQAZUZQJAEATP-DNVCBOLYSA-N 427.505 3.809 5 1 IHBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1 95572892 NUQMJWUBBNAXRH-UHFFFAOYSA-N 440.239 3.985 5 1 IHBF COCCN1C(=O)CC[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl 587062057 AUWBIKOMXAUJHX-ORAYPTAESA-N 429.864 3.613 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 587744122 CKONKLBIZZYJKA-YYSFKGJASA-N 439.237 3.583 5 1 IHBF CCOC(=O)CCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)NCCc2c1c(C(C)C)nn2C 962917490 ZQOMYDQXIFGVTO-HSZRJFAPSA-N 444.532 3.583 5 1 IHBF COc1cc2cc(C(=O)NCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 3950279 BYTUETJSWCTJIJ-UHFFFAOYSA-N 447.491 3.579 5 1 IHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963197815 UFEBZXUYASONHH-WBMJQRKESA-N 430.766 3.964 5 1 IHBF CCOC(=O)Oc1ccc2c(c1)c(=O)c1c(NCCCN(CC)CC)ccc3nnn2c31 5582495 FPCMHWRXGBEQPP-UHFFFAOYSA-N 437.500 3.513 5 1 IHBF Cc1cccc2c1c(=O)c1ccccc1n2C[C@H](O)CN1CCC(N2CCCCC2)CC1 43013671 JMHJWVHZQBPELZ-JOCHJYFZSA-N 433.596 3.774 5 1 IHBF CCN(CC)CCn1nc2c3ccccc3sc3c(CNS(C)(=O)=O)ccc1c32 838520 KZEGPVCGHZLSJH-UHFFFAOYSA-N 430.599 3.795 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263211 OUOUEFBKYLSYNV-UHFFFAOYSA-N 444.835 3.516 5 1 IHBF CC(C)(C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 587656689 KQFZTASIRWGBDL-UHFFFAOYSA-N 439.378 3.522 5 1 IHBF C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 299831428 PSOFWCMIGQGVAZ-BODDSPMOSA-N 432.649 3.712 5 1 IHBF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587140419 GOPDQVUFRNQABR-HNNXBMFYSA-N 441.872 3.724 5 1 IHBF CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c[nH]3)c(=O)c3ccccc23)cc1OCC 587670509 ZLVJYQKUPUGRSX-UHFFFAOYSA-N 448.435 3.786 5 1 IHBF COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 82136179 NIGCAMCCVLKRRR-UHFFFAOYSA-N 429.521 3.864 5 1 IHBF COc1cc([N+](=O)[O-])cc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1OCC(=O)O 962667888 MKBWZQPQYBADEZ-QHCPKHFHSA-N 434.448 3.969 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=S)N1 299855530 BGOMADGRAWZQSQ-MRXNPFEDSA-N 425.495 3.636 5 1 IHBF C[C@H]1CN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3o2)CCN1Cc1ccccc1 1857612519 WYKKBSQTROZFFV-ZDUSSCGKSA-N 448.401 3.826 5 1 IHBF Cc1ccc2ncc3c(=O)n(CCCN4CCN(c5ccc(F)cc5)CC4)cnc3c2c1 72105198 KWUOFVFBRHFDJH-UHFFFAOYSA-N 431.515 3.605 5 1 IHBF COCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 82135939 ZYIKHYMQBZBYRS-UHFFFAOYSA-N 441.875 3.694 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587743344 AOPMCNCOGKGAQP-JEOXALJRSA-N 437.265 3.837 5 1 IHBF CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-] 13878919 PLCZKUOGDUKVFU-NRFANRHFSA-N 434.496 3.844 5 3 IHBF COC(=O)c1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2OC)c([N+](=O)[O-])c1 35861307 ULYXEPBWPBZBRQ-PXNMLYILSA-N 430.394 3.506 5 1 IHBF O=c1[nH]c2c3ncccc3c(NCc3cccc([N+](=O)[O-])c3)nc2n1Cc1ccc(O)cc1 299819367 BWZZIWOKSPARKO-UHFFFAOYSA-N 442.435 3.547 5 1 IHBF O=C(NCC1CCN(c2nc3ccccc3o2)CC1)c1cc([N+](=O)[O-])c2cccnc2c1O 1857653737 AKIWPCVQIKPYHH-UHFFFAOYSA-N 447.451 3.636 5 1 IHBF COc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Cl 587263386 SMMNBRSGYLUHMQ-UHFFFAOYSA-N 429.864 3.616 5 1 IHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(I)cnc3[nH]2)c1 587269950 UKKYWPWCURCJGV-UHFFFAOYSA-N 435.225 3.738 5 1 IHBF COc1cc(-c2nc3cccc(I)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260740 BSIREQHVPWKFTP-UHFFFAOYSA-N 425.182 3.760 5 1 IHBF Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661499 PPVNUANOQHKEAC-CYBMUJFWSA-N 435.415 3.592 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2[N+](=O)[O-])NC(=S)N1 299855528 BGOMADGRAWZQSQ-INIZCTEOSA-N 425.495 3.636 5 1 IHBF Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 28525497 FVDHEAMHZSPGSY-UHFFFAOYSA-N 426.436 3.680 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587265890 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O=[N+]([O-])c1cn2c(n1)OC[C@H](OCc1ncccc1-c1ccc(OC(F)(F)F)cc1)C2 1772608012 YJJSGDCDWLLRQO-CQSZACIVSA-N 436.346 3.730 5 1 IHBF C[C@@]1(c2cc([N+](=O)[O-])ccc2N)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963177338 IKNMMTFYHYNLRR-DOTOQJQBSA-N 429.782 3.712 5 1 IHBF Cc1cc(N2C(=O)C(=O)[C@H](C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 2253776 WQWUYZREAVFCOK-PMACEKPBSA-N 445.387 3.794 5 1 IHBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CC(C(=O)O)C2)ccc1[N+](=O)[O-] 13553382 NALDWZBDPNWKEG-CFLQYTFWSA-N 433.505 3.532 5 1 IHBF CC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3NC(C)C)CC2)c(F)c1 40976620 JXMIFPFZTRWSEJ-UHFFFAOYSA-N 428.464 3.719 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587048832 AVOLKFOTNUIOGC-VOTSOKGWSA-N 428.836 3.910 5 1 IHBF O=[N+]([O-])c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1F 587169627 FGZCSQBHGYBYHE-IBGZPJMESA-N 444.419 3.817 5 1 IHBF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4206808 ZOMROAVDHGOVIW-QUCCMNQESA-N 445.859 3.985 5 1 IHBF CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cccc([N+](=O)[O-])c23)c1C 587649751 ZAWXTBYBZPYJKX-UHFFFAOYSA-N 427.413 3.605 5 1 IHBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn([C@H](c3ccccc3)c3ccncc3)c(=O)c12 13919732 DYLOIAAJAFNBQY-HXUWFJFHSA-N 430.851 3.630 5 1 IHBF O=[N+]([O-])c1cccc(CCc2nc3c(I)cnc(Cl)c3[nH]2)c1 587270939 XNNHNDBKXBBANY-UHFFFAOYSA-N 428.617 3.909 5 1 IHBF COc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82149267 DIQYCYGZILCTJJ-UHFFFAOYSA-N 447.495 3.855 5 1 IHBF O=C(O[C@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 169352594 ULTWFVLLKPONPF-OAQYLSRUSA-N 439.447 3.631 5 1 IHBF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586937664 MBKBLKGVDPILDS-MRXNPFEDSA-N 426.857 3.939 5 1 IHBF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587140422 GOPDQVUFRNQABR-OAHLLOKOSA-N 441.872 3.724 5 1 IHBF O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659982 AOZKGWKHPFBIOO-UHFFFAOYSA-N 434.339 3.708 5 1 IHBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1[N+](=O)[O-] 587016662 AVMOAONKWRWOIR-UHFFFAOYSA-N 439.409 3.865 5 1 IHBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)nc1C(F)(F)F 587118393 MYAVADOYLVDSSN-UHFFFAOYSA-N 443.345 3.984 5 1 IHBF O=[N+]([O-])c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171250 NISQSRKFSRMZQX-GOSISDBHSA-N 426.429 3.678 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 587157528 NWLQJQWQSKWRKG-UHFFFAOYSA-N 433.197 3.603 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1[N+](=O)[O-] 586940875 IVDADJNRGWRVNX-UHFFFAOYSA-N 443.510 3.528 5 1 IHBF COc1cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O 963114041 VVXXJZINLUAPFC-HUTHGQBESA-N 441.267 3.997 5 1 IHBF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C(=O)OC)cc1 1772618352 NNMRQNRFGULXPT-KSFYIVLOSA-N 428.485 3.983 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)cc([N+](=O)[O-])c1Cl 586928196 YZWIWWMQDXFCIM-UHFFFAOYSA-N 446.666 3.663 5 1 IHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587056597 SMUGVEGGTIBGEB-IRXDYDNUSA-N 430.852 3.975 5 1 IHBF COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCO)c2c1)C(=O)NC4=O 1911548 IWZCQGXBQFPXKT-UHFFFAOYSA-N 427.460 3.714 5 1 IHBF O=C(NCCN1CCN(CC2CCCCC2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1857640349 LWGBXEJDVPSHQY-UHFFFAOYSA-N 442.482 3.541 5 1 IHBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587194107 LNGMJNJTTNPFTE-NSHDSACASA-N 442.314 3.751 5 1 IHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587259802 IRERQRNECPNKER-HLTSFMKQSA-N 445.111 3.748 5 1 IHBF C[C@]1(CN2CCc3nc(-c4cc(F)cc(Cl)c4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857603400 CIUJEQNRCZZOQT-NRFANRHFSA-N 443.866 3.855 5 1 IHBF COc1ccc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)cc1O 2356575313 IIGIBTAYRMNPFL-CTNGQTDRSA-N 436.416 3.542 5 1 IHBF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149519 SWCLUVQSGKOEHO-HOTGVXAUSA-N 427.505 3.618 5 1 IHBF CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc12 261088246 CYJMDICCNHFYPK-CALCHBBNSA-N 434.500 3.757 5 1 IHBF CC1=C(c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587109417 JJTVFTIVBDZXBY-UHFFFAOYSA-N 431.374 3.836 5 1 IHBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)nc1C(F)(F)F 587119618 ZPUKVQURQZTMRF-UHFFFAOYSA-N 433.306 3.705 5 1 IHBF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)ccc([N+](=O)[O-])c41)[C@@H](C2)C3=O 587434036 PGDJQBAWSCBWLA-IZHWHUGBSA-N 429.384 3.545 5 1 IHBF Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] 587661422 NZPXJMWVPODNMT-CQSZACIVSA-N 435.415 3.826 5 1 IHBF CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 587655787 ATYSSQQREBDXTJ-SFHVURJKSA-N 439.378 3.738 5 1 IHBF Cc1cc(Br)cc2c1N[C@H](c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 1857645119 VGYWXHWUCJUXFV-KRWDZBQOSA-N 428.246 3.910 5 1 IHBF CN(C)CCNc1ccc2c3c(c4cccc(Cl)c4cc13)C(=O)N(CCN(C)C)C2=O 29343736 IQCFWJIJLFBEFD-UHFFFAOYSA-N 438.959 3.778 5 1 IHBF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134401 AGTUTJXAADYTOV-DNVCBOLYSA-N 427.505 3.809 5 1 IHBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1[N+](=O)[O-] 586940853 IADWIBQXNDKTPG-UHFFFAOYSA-N 434.543 3.969 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-] 587868756 SGJFRCVFCYXBNV-LLVKDONJSA-N 436.346 3.988 5 1 IHBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cc([N+](=O)[O-])ccc1F 963144774 MIWOUFLBCNLZEY-LIRRHRJNSA-N 437.449 3.700 5 1 IHBF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4206806 ZOMROAVDHGOVIW-ICSRJNTNSA-N 445.859 3.985 5 1 IHBF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC2Cc3ccccc3C2)[C@@H]1c1cccc([N+](=O)[O-])c1 169723559 RIFLJFURLDLFTB-JTHBVZDNSA-N 448.475 3.927 5 1 IHBF O=[N+]([O-])c1ccn(CCCc2nc3c(Br)ccc(Br)c3[nH]2)n1 587273642 FFEXWGXTJMXYQX-UHFFFAOYSA-N 429.072 3.825 5 1 IHBF Cc1nc2c(-c3ccc(Br)cc3)nc3ccc(F)cc3c2c(=O)n1CC(=O)O 1857745169 ONVBUZMIICFHAN-UHFFFAOYSA-N 442.244 3.906 5 1 IHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Br)c2[nH]1 587265586 QJYDSRDHJOHDSP-LURJTMIESA-N 425.174 3.849 5 1 IHBF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587334868 MVMXDJBWZQZFGL-GCJKJVERSA-N 438.342 3.785 5 1 IHBF CN(C)C(=O)c1ccc(N(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc(O)cc2O)cc1 1857591489 RDZHNFZDJQDIFX-UHFFFAOYSA-N 435.436 3.555 5 1 IHBF O=c1c2cc(Br)ccc2nc2c3ccccc3c(NCCN3CCCC3)nn12 1772652355 KPAWPZLPLGERIK-UHFFFAOYSA-N 438.329 3.666 5 1 IHBF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587041530 XBQIPPHGRWRTRT-KRWDZBQOSA-N 443.441 3.666 5 1 IHBF CCCCc1nc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)[nH]1 1857591423 KFINSLQGWIDIKF-HNNXBMFYSA-N 432.868 3.581 5 1 IHBF CCC[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206041499 IWRAWAXVFMZCAX-FCIYXJNOSA-N 449.573 3.613 5 3 IHBF CC[C@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135505 JEROJTMMSLQEKY-AWEZNQCLSA-N 449.467 3.921 5 1 IHBF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cncc([N+](=O)[O-])c3[nH]1)C(=O)OC2 586915036 GGCODAKZTQURJK-WCIBSUBMSA-N 438.440 3.681 5 1 IHBF C[C@]1(C[C@H](C[N+](=O)[O-])c2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962668809 PVNSMKLRPUYMMP-NGXZDTIWSA-N 433.508 3.999 5 1 IHBF CCOc1cc(C2=NC(=O)N[C@H](c3ccn(C)n3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702745 LKXNUQOYPKPZLK-FUHWJXTLSA-N 441.469 3.532 5 1 IHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)CC2=O 587473603 YHCAKPWKVWKGIE-BBATYDOGSA-N 445.424 3.820 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587850688 RLJNCZUWFGQWDY-XYZCENFISA-N 443.294 3.524 5 1 IHBF CCN(CC)c1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 587667925 VMHSXGAMSASBJS-UHFFFAOYSA-N 431.452 3.908 5 1 IHBF COCCOc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587265355 PCKGMPYBCUBKCD-UHFFFAOYSA-N 427.642 3.974 5 1 IHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 587576372 ODRVVKUCBQXVSF-URXFXBBRSA-N 448.431 3.840 5 1 IHBF CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(CNS(C)(=O)=O)ccc1c32 838525 YUCCODJQSSRSHK-UHFFFAOYSA-N 446.598 3.501 5 1 IHBF O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)nn1CC(F)(F)F 587092093 LZSQMVONNFAGOT-UHFFFAOYSA-N 426.099 3.938 5 1 IHBF O=[N+]([O-])c1cc(-c2nc3cccc(I)c3[nH]2)nn1CC(F)(F)F 587093088 UQYVYWMRRYYWCB-UHFFFAOYSA-N 437.119 3.502 5 1 IHBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587338158 TXUHWDAFWLLHAQ-DENIHFKCSA-N 438.342 3.785 5 1 IHBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 1857766730 LCPYZTWGAKNAPB-JYJNAYRXSA-N 441.550 3.855 5 1 IHBF O=C(NCc1ccc2c(c1)CN(C(=O)c1ccccc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857767007 VGOMYBDHMUZGCN-UHFFFAOYSA-N 446.419 3.589 5 1 IHBF O=C(COc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)COc1ccc(C(=O)O)cc1 13472825 AAUFAGRZNAKLLR-UHFFFAOYSA-N 437.404 3.899 5 1 IHBF Cc1nc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2cc1Br 586924643 DMTKOPLMNSXDCB-UHFFFAOYSA-N 445.682 3.661 5 1 IHBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586937081 OXGWLFYDOJDHGQ-ZDUSSCGKSA-N 440.934 3.897 5 1 IHBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccncc5)CC4)cc3)C2)o1 1772644587 VNODXONSDDQBQD-JOCHJYFZSA-N 433.468 3.771 5 1 IHBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)c1c([N+](=O)[O-])cnn1C 963903660 CXYXHKZQSJGNPQ-QRQCRPRQSA-N 444.488 3.537 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1)N(C)[C@@H](C)C2 962568038 KQXKLIOEOYQDMJ-YUNKPMOVSA-N 441.513 3.847 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263652 YLFZKFIGEBBGIP-UHFFFAOYSA-N 433.390 3.973 5 1 IHBF Cc1c(Br)cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1C 587270826 RCDPPFLCDAAUQN-HNNXBMFYSA-N 446.305 3.749 5 1 IHBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@@H](C(C)(C)O)O4 14586273 PDCFTPUXIGMZDM-SFHVURJKSA-N 426.465 3.949 5 1 IHBF biogenic,in-vitro COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C)c([N+](=O)[O-])c4C)c1)[C@@H](C2)C3=O 587431503 FPMNMZNUQXAASM-UUOWRZLLSA-N 449.463 3.962 5 1 IHBF CC(=N)N1CCC(Oc2ccc(NC/C=C/c3cccc(C(=N)N)c3)cc2[N+](=O)[O-])CC1 13441105 YNYVXZDENRCRMJ-ZDIRTLHWSA-N 436.516 3.845 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 587389463 KVLICUSDAQGTNY-DEOSSOPVSA-N 444.399 3.637 5 1 IHBF O=C(CC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258328 ABHCTTFWVASZNF-UHFFFAOYSA-O 434.479 3.799 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587845533 BHOGNPFAGNITCB-HUTHGQBESA-N 443.294 3.524 5 1 IHBF CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085609 BXXKNWWYDULDGQ-UHFFFAOYSA-N 428.514 3.797 5 1 IHBF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 82195882 JLJSVIARQZCLJE-CJNGLKHVSA-N 436.921 3.636 5 1 IHBF O=C(NN1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)n[nH]1 84690091 IMEIDOSSDXQVGU-LJQANCHMSA-N 443.872 3.557 5 1 IHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)c(Br)cc2[nH]1 587276271 JXPQKSQPJOJIFS-SSDOTTSWSA-N 429.072 3.996 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587751987 PHIRGPPQZCQFFI-BKZTYWCUSA-N 447.260 3.676 5 1 IHBF CCOC(=O)c1ccccc1[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c(C(=O)O)cccc21 963124500 RDKCIBLYGGRNTJ-VWLOTQADSA-N 446.459 3.907 5 1 IHBF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586985662 YDRBFIVQSGDJAC-AWEZNQCLSA-N 448.233 3.562 5 1 IHBF CCN(Cc1ccccc1)C(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82214921 BGLUDFQFYVMPOB-UHFFFAOYSA-N 435.484 3.772 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 299862234 MROPMRBHWJPFFK-INIZCTEOSA-N 425.495 3.636 5 1 IHBF O=C(Nc1cccc(-c2ccc(C(F)(F)F)nc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82156779 JQDCTOBPVLNTLN-AWEZNQCLSA-N 449.345 3.882 5 1 IHBF COCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82147737 WVKAAORREUBONT-UHFFFAOYSA-N 427.505 3.810 5 1 IHBF CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c[nH]3)c(=O)c3ccccc23)c(O)c1 587667523 NMEQLHNNKNNGSQ-UHFFFAOYSA-N 447.451 3.540 5 1 IHBF C[N+]1(C)CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1 1772592610 ZGSUBQPAIAVQPK-UHFFFAOYSA-N 431.438 3.973 5 1 IHBF CCCCc1nc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)[nH]1 1857574736 RMCHIIGTBZAGNG-OAHLLOKOSA-N 432.868 3.581 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(F)cnc(Br)c3[nH]2)CC1 587270624 XBEYLMXQTDKZGK-UHFFFAOYSA-N 448.252 3.788 5 1 IHBF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150212 NSGGAEKQQAZAGV-UHFFFAOYSA-N 447.495 3.551 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1 587264674 PIHSXHMIJOLQNN-RTHLEPHNSA-N 436.222 3.676 5 1 IHBF O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(F)c([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587338167 TXUHWDAFWLLHAQ-UGKGYDQZSA-N 438.342 3.785 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)ncc2[nH]1 587261957 FKEGZOKUSWGNED-VIFPVBQESA-N 435.234 3.980 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o1)O2 587372854 RNOASDYXYASTKG-MRXNPFEDSA-N 447.245 3.792 5 1 IHBF COc1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963197813 UFEBZXUYASONHH-LRDDRELGSA-N 430.766 3.964 5 1 IHBF Cc1ccccc1N1CCN(CCCCn2cnc3c(cnc4ccccc43)c2=O)CC1 72104739 IFQAXRQUGROGQJ-UHFFFAOYSA-N 427.552 3.856 5 1 IHBF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cncc([N+](=O)[O-])c2)N1C(=O)c1ccccc1 963420576 WZCQWNJYAZUVDJ-RBBKRZOGSA-N 442.431 3.712 5 1 IHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 587269728 NFSWNRIQYNKQAS-UHFFFAOYSA-N 434.431 3.816 5 1 IHBF CC(=O)OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743349 AOPMCNCOGKGAQP-NSPYISDASA-N 437.265 3.837 5 1 IHBF COc1cccc(-n2nnc(-c3ccccc3NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 1772602577 MWCMHNJTYDBIQK-UHFFFAOYSA-N 431.412 3.890 5 1 IHBF CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587748597 AFONVXNNSZKYML-QDRQEVHFSA-N 447.260 3.676 5 1 IHBF O=C1C[C@@]2(N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c2cccc([N+](=O)[O-])c21 962925949 KHOPPUDZDSBIRP-YADARESESA-N 446.415 3.522 5 1 IHBF COC(=O)N1CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1 72113828 YVMBXKMLIFSGIQ-HNNXBMFYSA-N 436.508 3.828 5 1 IHBF O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(F)c1)c1cccc2c1OCCO2 169337258 DSYQEJUCTCOXLZ-FPLPWBNLSA-N 439.399 3.729 5 1 IHBF O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1)c1cccs1 587019134 HVZAPAQJPNVGTB-UHFFFAOYSA-N 430.427 3.740 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587754105 XPECTHNJMSTFHC-LTDITEOESA-N 447.260 3.676 5 1 IHBF CN(CC(=O)NCCC1=CCCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089345 VNFQCFCIQVRVMA-UHFFFAOYSA-N 428.514 3.797 5 1 IHBF COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2n1 586949189 UJQBWPIKEITVSD-UHFFFAOYSA-N 439.453 3.651 5 1 IHBF COc1c([N+](=O)[O-])c(O)c2c(=O)cc(-c3ccccc3)oc2c1I 27997520 WBOUTSVWMRPMCK-UHFFFAOYSA-N 439.161 3.687 5 1 IHBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1 82082813 PUVHULOZQMSECK-CQSZACIVSA-N 428.514 3.843 5 1 IHBF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@@H]2C1 169368382 DJJWXLVUVROWNW-WMIWIFQWSA-N 441.524 3.815 5 1 IHBF Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] 587661420 NZPXJMWVPODNMT-AWEZNQCLSA-N 435.415 3.826 5 1 IHBF Cn1cc(C2=C(c3cn(CCC[N+](C)(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21 13451591 AOJGRFPNHCPECH-UHFFFAOYSA-O 441.555 3.797 5 1 IHBF O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccc1[N+](=O)[O-] 13747132 GMFZHSHZWZQXBX-UHFFFAOYSA-N 439.541 3.537 5 1 IHBF CC1=NN(C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)=NN1C(=O)Nc1cccc([N+](=O)[O-])c1 40631494 BXWDNNQUEDEVFB-UHFFFAOYSA-N 440.376 3.551 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 587264600 OBDFOHJRJHAQHA-QTTZVWFDSA-N 427.204 3.615 5 1 IHBF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccc(C)n3)c2c1 587620263 BGTMXXLGNSGYMI-UHFFFAOYSA-N 441.469 3.688 5 1 IHBF O=C1Nc2ccccc2[C@@]12N[C@H](Cc1c[nH]c3ccccc13)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1 1857535789 QPCBMJUPEWWHGC-TWZJLLKVSA-N 438.487 3.959 5 1 IHBF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1 40393194 TUTMGFOSDQPABL-UHFFFAOYSA-N 446.433 3.921 5 1 IHBF COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC 586974612 FLDSNDYWBLIRQX-OAHLLOKOSA-N 441.669 3.952 5 1 IHBF O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)[C@@H]1c1ccc(F)cc1 587338816 RTQSWPWMDOJAHA-NFBKMPQASA-N 437.379 3.865 5 1 IHBF O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Br)cc1)[C@H]([N+](=O)[O-])[C@H]1CCCN12 221598861 BWZNUPNRUDEHSP-SOAMZJECSA-N 428.286 3.504 5 1 IHBF COCCNc1ccc(-c2nc3ccc(I)cc3[nH]2)cc1[N+](=O)[O-] 587262523 VWGYPYHNJUPOEV-UHFFFAOYSA-N 438.225 3.801 5 1 IHBF Cc1ccc(N2CC[C@@](C)(NC(=O)c3ccc(-n4cnnc4)cc3Cl)C2)c([N+](=O)[O-])c1 1772580381 CNNWJYRXNDWIEJ-OAQYLSRUSA-N 440.891 3.536 5 1 IHBF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1 587263495 ANZYDIMODJAUIT-KRWDZBQOSA-N 448.435 3.998 5 1 IHBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1 587265523 VNEDXFJEMCTQGP-RTHLEPHNSA-N 441.322 3.812 5 1 IHBF C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])NCCc2nc3ccccn3c21 962983606 BUHKTHXIKZYITJ-MRXNPFEDSA-N 442.690 3.533 5 1 IHBF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3)n2)nc1 1772606657 XLJCUFAXHXIBAC-UHFFFAOYSA-N 436.863 3.810 5 1 IHBF COc1c(NS(=O)(=O)c2ccc(F)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O 1857756708 BMLLTMTWLBJMLK-UHFFFAOYSA-N 445.424 3.609 5 1 IHBF O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccccc1OC(F)(F)F 473090487 VZLUUDKKPAULOU-GFCCVEGCSA-N 431.323 3.585 5 1 IHBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 587864482 IDLRBJIHIQIEGV-UHFFFAOYSA-N 429.742 3.941 5 1 IHBF CCOc1ccccc1[C@](N)(c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(F)(F)F 587093637 WSHVCHCKFWMAPT-INIZCTEOSA-N 425.323 3.543 5 1 IHBF O=C(N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)O)OCc1ccccc1 587203060 NBUDSWNBEFMKRT-NRFANRHFSA-N 441.447 3.581 5 1 IHBF COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 1772609614 WJXIPPTWFWBEGN-UHFFFAOYSA-N 433.533 3.908 5 1 IHBF COc1ccc2[nH]cc(CCNC(=O)C3CCN(Cc4ccccc4[N+](=O)[O-])CC3)c2c1 653884685 ZMDMLFRVIBOLCC-UHFFFAOYSA-N 436.512 3.656 5 1 IHBF O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2c(O)ccc3c2OCO3)c1 40421962 OKWFAHMASOHVES-UHFFFAOYSA-N 432.385 3.636 5 1 IHBF CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085447 HULYDSONRMNCOF-GOSISDBHSA-N 447.513 3.683 5 1 IHBF O=C(O)CCN(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Cc1ccccc1 587193308 GYVRPLSNLLBTOJ-UHFFFAOYSA-N 447.289 3.753 5 1 IHBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2cc1F 586943892 IOFMWFFAVLAOBS-UHFFFAOYSA-N 446.485 3.860 5 1 IHBF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4051602 LRSAWGTWCSRYGE-DNAPSTMVSA-N 445.903 3.863 5 1 IHBF COc1ccc(C(=O)Cc2cc3c(cc2[N+](=O)[O-])C(=O)N(Cc2ccccc2)C3=O)cc1 653850852 YKQGEQZKQHDHLR-UHFFFAOYSA-N 430.416 3.825 5 1 IHBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 13878917 XLSJJURYPDVBLH-FQEVSTJZSA-N 436.443 3.693 5 3 IHBF CCN(CC)CCn1ncc2c3c(=O)c4cccnc4n(CCN(CC)CC)c3ccc21 1638200 ARODSBOXDTXECO-UHFFFAOYSA-N 434.588 3.583 5 1 IHBF CC[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)n1cc(I)c(C)n1 587185956 QNJOYUXYEMUCQH-LBPRGKRZSA-N 429.193 3.719 5 1 IHBF COC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cnn1CCc1ccccc1 96283168 HRNHDIVPSSXCAR-UHFFFAOYSA-N 440.481 3.551 5 1 IHBF CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccccc1F 1772605394 BTNOYGBPOMPCFY-SFHVURJKSA-N 430.439 3.762 5 1 IHBF O=C(CSc1nnnn1-c1cc(Cl)ccc1Cl)Nc1ccccc1[N+](=O)[O-] 34817562 FJBZBBBUUMYHAK-UHFFFAOYSA-N 425.257 3.608 5 1 IHBF C[C@]1(C[C@@H](C[N+](=O)[O-])c2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962668807 PVNSMKLRPUYMMP-LQGLAIQGSA-N 433.508 3.999 5 1 IHBF CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+](=O)[O-] 8683036 QOIZVPXCIKQNNN-UHFFFAOYSA-N 428.430 3.524 5 3 IHBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C[C@H](C(C)(C)O)O4 14586272 PDCFTPUXIGMZDM-GOSISDBHSA-N 426.465 3.949 5 1 IHBF biogenic COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CC1OCCO1)CC3 95576856 NPPIACXHRGLHGW-UHFFFAOYSA-N 439.508 3.758 5 1 IHBF CCOc1cc([C@@H]2NC(=O)N=C(c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702726 HSSNRDLONYUNIO-SJORKVTESA-N 441.469 3.532 5 1 IHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)ccc(Br)c2[nH]1 587277252 RLAGEDRZNOHHHD-SSDOTTSWSA-N 429.072 3.996 5 1 IHBF NC(=O)c1cc(N2CCC(c3nc4cccc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587262683 DSOQUXWILAONFQ-UHFFFAOYSA-N 444.289 3.717 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3ccc([N+](=O)[O-])n3)o2)N1 587751301 LYVJQQREJDUOSN-XTZNXHDOSA-N 435.253 3.958 5 1 IHBF CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 299862236 MROPMRBHWJPFFK-MRXNPFEDSA-N 425.495 3.636 5 1 IHBF COCCNC(=O)c1ccc(NCc2cccc(OC)c2)c2c(=O)c3cccc(C)c3[nH]c12 1772594399 ZJDQSGVCYZECMS-UHFFFAOYSA-N 445.519 3.987 5 1 IHBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587194113 LTGWQEOLCUPCDP-LBPRGKRZSA-N 442.314 3.751 5 1 IHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C(=C/N(C)C)n2cc([N+](=O)[O-])cn2)N1 587752646 SOXNLHBALTUTCD-QTIULZLISA-N 438.301 3.503 5 1 IHBF O[C@@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@@H](O)C6)c4)c3)CCC1CC2 71331701 NJMHXRYJKBZHDO-ZIIBRXAFSA-N 434.624 3.556 5 1 IHBF CC[C@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 82149326 ZZVHFRFFVXERII-AWEZNQCLSA-N 449.467 3.921 5 1 IHBF COc1ccc(CCNC[C@H](O)COc2cccc3c(=O)c4ccccc4oc23)cc1OC 1857537693 JSDPSJVNZKTYNN-SFHVURJKSA-N 449.503 3.535 5 1 IHBF O=C(Nc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1sc2cc(C3=NCCN3)ccc2c1Cl 1857538739 VFXATFICBYTJHA-UHFFFAOYSA-N 440.872 3.941 5 1 IHBF COC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 587210464 CLIQKJJFANNDOA-SBUREZEXSA-N 436.464 3.668 5 1 IHBF COC(=O)C1(Cc2cc(-c3ccc([N+](=O)[O-])cc3)no2)CCN(C(=O)OC(C)(C)C)CC1 36384219 IIQUQUJBCXEWJO-UHFFFAOYSA-N 445.472 3.983 5 3 IHBF COC(=O)[C@H](c1cc2c3c(cccc3n1)CC2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 587210463 CLIQKJJFANNDOA-HXOBKFHXSA-N 436.464 3.668 5 1 IHBF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1 82134394 AGTUTJXAADYTOV-BEFAXECRSA-N 427.505 3.809 5 1 IHBF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482054 GRSSYLZCDUULGM-UHFFFAOYSA-N 445.815 3.675 5 1 IHBF COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 40917473 CFYAUZPZSBAQNA-JOCHJYFZSA-N 432.492 3.940 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)nc2[nH]1 587263477 AAOJHZAVKXPCKO-PWCHPLFNSA-N 427.204 3.615 5 1 IHBF Cc1ccccc1CNc1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 13878883 GLSAHLIHFPLYJF-NRFANRHFSA-N 432.480 3.862 5 3 IHBF Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(C)c1[N+](=O)[O-] 587652876 MASIASPSFGTHGC-UHFFFAOYSA-N 437.843 3.508 5 1 IHBF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085446 HULYDSONRMNCOF-SFHVURJKSA-N 447.513 3.683 5 1 IHBF O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccccc4C(=O)O)cc3)nn2)c([N+](=O)[O-])c1 84727866 YJEOSHSLFWMFMN-UHFFFAOYSA-N 444.403 3.965 5 1 IHBF CCN(CC)CCNc1nn2c(=O)c3cc(Br)ccc3nc2c2ccccc12 1772627461 QJOROSHNNZGVRR-UHFFFAOYSA-N 440.345 3.912 5 1 IHBF O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 82081339 KMZZPPBXHJXFLO-MRXNPFEDSA-N 428.514 3.583 5 1 IHBF CC[C@@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)n1cc(I)c(C)n1 587185821 XYSNASPKFVINJS-ZDUSSCGKSA-N 425.230 3.888 5 1 IHBF C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857575997 FSOXZMVHNZSLIE-JTQLQIEISA-N 434.367 3.801 5 1 IHBF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCc3ccccc3[N+](=O)[O-])ccc1-2 209716623 XLWJXAQVSMQEKJ-LJQANCHMSA-N 449.463 3.511 5 1 IHBF CCOC(=O)Cc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 587269230 IWPWSJDIWGMDJF-UHFFFAOYSA-N 436.468 3.597 5 1 IHBF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 169350447 PUAAKALCENALRX-VPPOCLQFSA-N 441.480 3.579 5 1 IHBF COCCOc1ccc(-c2nc3cccc(I)c3[nH]2)cc1[N+](=O)[O-] 587266387 VMKZHQLHRVGJPI-UHFFFAOYSA-N 439.209 3.768 5 1 IHBF O[C@H]1C[N+]2(Cc3cccc(-c4cccc(C[N+]56CCC(CC5)[C@@H](O)C6)c4)c3)CCC1CC2 71331703 NJMHXRYJKBZHDO-FAPJWQGMSA-N 434.624 3.556 5 1 IHBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCCCC1)CC2 35034001 XREJKRJCFOAFLA-XMMPIXPASA-N 439.512 3.572 5 1 IHBF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3c2)cc1 587269105 PVGIPYGCRHRMDJ-UHFFFAOYSA-N 428.426 3.849 5 1 IHBF COc1cccc2cc3c(nc12)[C@@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)NCC3 963047924 QKQNIQKFDUQBRF-XMMPIXPASA-N 434.496 3.579 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 587140543 CBVRPELBHYKAPN-UHFFFAOYSA-N 431.380 3.612 5 1 IHBF COc1ccccc1CCNc1ncc(C(=O)NCC2CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135455 ODSWAVRSFISVHC-UHFFFAOYSA-N 447.495 3.855 5 1 IHBF O=C(NCC1CC1)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 82214838 UHVNZGRUVONNTN-UHFFFAOYSA-N 435.459 3.985 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)c([N+](=O)[O-])c1 587868661 OCDCTPYOIKHHAC-UHFFFAOYSA-N 436.346 3.908 5 1 IHBF CCOC(=O)[C@@H]1Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 1911570639 IVXULCYGVUJWLK-IFMALSPDSA-N 434.448 3.569 5 1 IHBF CC(=O)Nc1ccc2c(=Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3n(C)c2c1 469740566 UYAULANIGSTBSX-UHFFFAOYSA-N 434.521 3.894 5 1 IHBF CC(=O)[C@@H]1C(=O)c2c([N+](=O)[O-])cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587754099 XPECTHNJMSTFHC-FXKILUIXSA-N 447.260 3.676 5 1 IHBF Cc1ccc2c(c1)ncc1c(=O)n(CCCN3CCN(c4ccc(F)cc4)CC3)cnc12 72108598 FBHOQBOSOGXASZ-UHFFFAOYSA-N 431.515 3.605 5 1 IHBF O=[N+]([O-])c1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587148426 HBXGIVJDSQZCGK-UHFFFAOYSA-N 448.579 3.842 5 1 IHBF O=c1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587173460 WFBKEHSHNPLTKS-UHFFFAOYSA-N 427.323 3.974 5 1 IHBF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)cc1 587266214 ZETZCAGTSMCCAG-BVGQSLNGSA-N 437.452 3.802 5 1 IHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O[C@@H](C)C(=O)O)CC2=O 587473604 YHCAKPWKVWKGIE-VOJFVSQTSA-N 445.424 3.820 5 1 IHBF Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n2c1nc1ccccc12 5833793 QMMXPFLPMUAXCB-UHFFFAOYSA-N 425.473 3.999 5 1 IHBF CCOC(=O)C1CCN(c2ncnc(Oc3ccc(C(=O)CC)cc3)c2[N+](=O)[O-])CC1 40422019 QTRCOWZRXOCIHP-UHFFFAOYSA-N 428.445 3.549 5 1 IHBF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586965124 QJHBXQZHJUCTDB-UHFFFAOYSA-N 432.897 3.581 5 1 IHBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587259975 LDTAJCWWRXIXTM-IWSPIJDZSA-N 445.111 3.748 5 1 IHBF CNc1cccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1OC 1772652470 RPMHLDCWCUEJPE-UHFFFAOYSA-N 441.465 3.730 5 1 IHBF CCOC(=O)c1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 40753069 GUHGHMKLFSSHBU-KRWDZBQOSA-N 445.859 3.728 5 1 IHBF COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 474608446 LYOAWYUMAOQTQQ-UHFFFAOYSA-N 443.437 3.907 5 1 IHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1 587851899 YBEPLTLZVHFYGW-XYZCENFISA-N 443.294 3.524 5 1 IHBF O=C(c1ccc(Cl)cc1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 40865541 RKEDCZUUZMKXDH-UHFFFAOYSA-N 435.918 3.791 5 1 IHBF C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277367 UYJWYCZAKYIKMN-NSHDSACASA-N 446.876 3.731 5 1 IHBF COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2482287 WEBANWKYAJTMEA-UHFFFAOYSA-N 443.387 3.551 5 1 IHBF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1 82135503 JEROJTMMSLQEKY-CQSZACIVSA-N 449.467 3.921 5 1 IHBF C[C@@H](n1cnc2cc3ccccc3cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29557648 HTEUMIOJZBDWAG-OYLFLEFRSA-N 447.445 3.568 5 1 IHBF O=[N+]([O-])c1ccccc1OCCNC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 1772647276 VFNSXXVAZKMPQN-JOCHJYFZSA-N 434.492 3.922 5 1 IHBF CCN(CC)c1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 169331404 KVFGSUBLHRMSNW-UHFFFAOYSA-N 429.462 3.617 5 1 IHBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587006268 KOPYVTAPXVJTOB-UHFFFAOYSA-N 438.039 3.706 5 1 IHBF Cc1ccc(CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)c([N+](=O)[O-])c1 40407689 KHLAUKCSQNCFRE-UHFFFAOYSA-N 429.487 3.617 5 1 IHBF O=C([C@H]1CCCCN1Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 66166185 KYMSQAJQZFABLS-JOCHJYFZSA-N 442.947 3.952 5 1 IHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587056595 SMUGVEGGTIBGEB-IAGOWNOFSA-N 430.852 3.975 5 1 IHBF COc1ccc(-n2nnc(-c3ccccc3NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 1772578050 WSTBSSVTCOSMPS-UHFFFAOYSA-N 431.412 3.890 5 1 IHBF Cc1occc(=O)c1OCCCCCOc1c(C)n(-c2ccc([N+](=O)[O-])cc2)ccc1=O 28712738 BLVBZUDFNRUKFR-UHFFFAOYSA-N 440.452 3.944 5 1 IHBF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085557 KCZZTHDKNFIIGV-SFHVURJKSA-N 447.513 3.683 5 1 IHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c1)CC2=O 587473346 SGDGPRUIVXPSCO-ZMZPIMSZSA-N 445.424 3.820 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)N1 587744115 CKONKLBIZZYJKA-LZVRBXCZSA-N 439.237 3.583 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587264354 QROAKJJPOKSEAL-LLVKDONJSA-N 443.412 3.618 5 1 IHBF N[C@@H](CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271648 IJWVYHPVOWYVPU-IBGZPJMESA-N 445.479 3.949 5 1 IHBF COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)[C@@H](C2)C3=O 587424156 XPWSSQUCIMUPPC-QKKBWIMNSA-N 425.828 3.682 5 1 IHBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCCN1CCCC1=O 2483529 BIUIVGJHQZYXGI-UHFFFAOYSA-N 448.907 3.943 5 1 IHBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c21 587389465 KVLICUSDAQGTNY-XMMPIXPASA-N 444.399 3.637 5 1 IHBF CCCn1c(CN2C(=O)COc3c2cc(C)cc3[N+](=O)[O-])nnc1-c1ccc(Cl)cn1 71331365 YFWBOSCQBMUXBB-UHFFFAOYSA-N 442.863 3.546 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)ccnc2[nH]1 587263031 JKGGQMXJMYQERJ-VIFPVBQESA-N 435.234 3.980 5 1 IHBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Cl)cnc2[nH]1 587264598 OBDFOHJRJHAQHA-PWCHPLFNSA-N 427.204 3.615 5 1 IHBF COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC 775533 ZJCATRYSRYXJGD-ZFWWWQNUSA-N 447.488 3.598 5 1 IHBF Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O 1619727 IXCOKHNAXJKOAZ-UHFFFAOYSA-N 440.303 3.622 5 1 IHBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c1 586944772 VQIVMRLZQVEIOR-UHFFFAOYSA-N 428.495 3.721 5 1 IHBF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 82147732 RDQAZUZQJAEATP-HNAYVOBHSA-N 427.505 3.809 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2S(C)(=O)=O)N1 587849199 KCGUASQLVJTCKP-VVVCHXIZSA-N 443.294 3.524 5 1 IHBF CCOc1cc(C2=NC(=O)N[C@@H](c3ccn(C)n3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O 169702742 LKXNUQOYPKPZLK-AEFFLSMTSA-N 441.469 3.532 5 1 IHBF O=C1C[C@@H]2OCC=C3C[N@+]4(Cc5ccccc5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64 253644135 GUZRLBNFMNLPRF-VRJZGZEMSA-N 425.552 3.808 5 1 IHBF COc1cc2c3c(c1)O[C@@]1(C(=O)N(Cc4ccccc4)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587431376 DQFHQKQKLWAPNJ-UQBPGWFLSA-N 442.427 3.793 5 1 IHBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)cnc(Cl)c2[nH]1 587264378 MRXYVWXVWWALRQ-KSBSHMNSSA-N 427.204 3.615 5 1 IHBF 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1772602767 XXABPVWTMGBTEE-UHFFFAOYSA-N 428.536 3.893 5 1 IHBF CCCn1c(CN2C(=O)COc3c2cc(Cl)cc3[N+](=O)[O-])nnc1-c1ncccc1C 71331996 UZKJIBCBXAWJTG-UHFFFAOYSA-N 442.863 3.546 5 1 IHBF C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] 587259972 LDTAJCWWRXIXTM-HLTSFMKQSA-N 445.111 3.748 5 1 IHBF CCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)cc1[N+](=O)[O-] 962645140 UQTNKHCOIWDPGO-SJCJKPOMSA-N 426.347 3.580 5 1 IHBF O=C(NCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)Nc1ccc([N+](=O)[O-])cc1 13813652 QZJARKYJDRPUEY-HXUWFJFHSA-N 440.500 3.658 5 1 IHBF COC(=O)c1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cn1 587119049 URKFCXQJMREUIH-UHFFFAOYSA-N 446.345 3.583 5 1 IHBF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)C1=C(O)OCCO[N+](=O)[O-] 2356840866 XGQFGRCJTBKQKL-AWEZNQCLSA-N 431.323 3.766 5 1 IHBF O=C(CCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1 96258320 YYWCCCDEKZFMBZ-UHFFFAOYSA-N 425.492 3.907 5 1 IHBF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C 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CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C 587662312 ZFKSJEKCRMBOSQ-SFHVURJKSA-N 435.415 3.907 5 1 IHBF O=c1c2c3c(sc2nc2n1sc1nc4sc5c(c4c(=O)n12)CCCC5)CCCC3 1655369 QQOXZYOZLNABPP-UHFFFAOYSA-N 440.575 3.951 5 1 IHBF CC[C@H](c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)n1cc(I)c(C)n1 587185817 XYSNASPKFVINJS-CYBMUJFWSA-N 425.230 3.888 5 1 IHBF O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2F)CC1 72105344 IZTYZZQZQYHOCT-UHFFFAOYSA-N 431.515 3.686 5 1 IHBF COc1ccc2c(c1OC)C[N@@+]1(CCCCC(=O)O)CCc3cc4c(cc3[C@H]1C2)OCO4 1857552120 FCHHZLSVSLAMCB-FQRUVTKNSA-O 440.516 3.858 5 1 IHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587262222 GKVWJUIQLXHDSM-AWEZNQCLSA-N 442.472 3.763 5 1 IHBF COCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1 82134826 COEQQAHOSRKUAO-UHFFFAOYSA-N 449.511 3.781 5 1 IHBF O=C(NCCOc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82195701 DQEXBNPLFZVLLT-HXUWFJFHSA-N 438.509 3.882 5 1 IHBF COP(=O)(OC)[C@@H](OC(=O)COc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 103210583 PMFBERJZCPKIOW-QGZVFWFLSA-N 440.301 3.610 5 1 IHBF CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c1C(F)(F)F 587115069 LYARPZHKYRCELH-UHFFFAOYSA-N 446.345 3.914 5 1 IHBF O=c1c2ccc(Cl)cc2[nH]c2c(O)nn([C@@H](c3ccccc3)c3ccncc3)c(=O)c12 13919731 DYLOIAAJAFNBQY-FQEVSTJZSA-N 430.851 3.630 5 1 IHBF CCOC(=O)Cc1ccc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2c1 587262781 HWYSNDVHOOFVLZ-ZDUSSCGKSA-N 441.440 3.928 5 1 IHBF Cc1cc2c(cc1O)[C@H](c1ccc(COc3cc(F)ccc3[N+](=O)[O-])o1)N[C@H](C(=O)O)C2 963524335 LBNHYVLRJFWEPT-HRAATJIYSA-N 442.399 3.608 5 1 IHBF Cc1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123104 BMKTYZDRHGEXNI-UHFFFAOYSA-N 445.335 3.616 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 587868965 YJENFBBNISARSJ-LLVKDONJSA-N 438.366 3.595 5 1 IHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCOCC1 587576374 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CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 82148742 RCKQIBTUJSGWGN-DLBZAZTESA-N 439.516 3.539 5 1 IHBF CCN(CC)CCNc1ccc(CNS(=O)(=O)CC)c2sc3ccccc3c(=O)c12 100892093 ULPJPHDJEDJIRL-UHFFFAOYSA-N 447.626 3.608 5 1 IHBF Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137220 ULNFWDSDNLQION-UHFFFAOYSA-N 446.382 3.849 5 1 IHBF COc1cc2c3c(c1)O[C@@]1(CCOc4c([N+](=O)[O-])cc(Br)cc41)[C@@H](C2)C3=O 587418449 QPCBQAUZEKJZLY-BUXKBTBVSA-N 432.226 3.791 5 1 IHBF CCCCc1nc([N+](=O)[O-])c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13493348 OASGAPSLQWGZCS-UHFFFAOYSA-N 433.472 3.522 5 1 IHBF COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc([N+](=O)[O-])cc23)cc1Cl 13834384 KGPMJJWZVHSQOG-UHFFFAOYSA-N 443.891 3.773 5 1 IHBF O=c1nc(NCc2ccc3c(c2)OCCO3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 95575286 YYPMHJWXVYYLET-UHFFFAOYSA-N 439.371 3.967 5 1 IHBF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)cc1 586954888 JOTMMJQVWXGDEK-UHFFFAOYSA-N 429.502 3.558 5 1 IHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587116389 FOOPRRDUGRTCED-UHFFFAOYSA-N 439.579 3.854 5 1 IHBF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1 587235635 PFNRSIZQUIAAPG-UHFFFAOYSA-N 431.408 3.997 5 1 IHBF COC(=O)c1cc(Br)c2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc2c1 587262868 ZXSXFONBUSQRQO-UHFFFAOYSA-N 434.246 3.950 5 1 IHBF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)c1c([N+](=O)[O-])cnn1C 963903659 CXYXHKZQSJGNPQ-IVZQSRNASA-N 444.488 3.537 5 1 IHBF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587048180 GLYFOZYAGFXSRW-UHFFFAOYSA-N 430.852 3.829 5 1 IHBF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCOC)nc2-c2ccc([N+](=O)[O-])cc2)C1 82149260 LAHCAQFLHPTXIJ-HOTGVXAUSA-N 427.505 3.761 5 1 IHBF CCOc1cc([C@H]2c3ccsc3CCN2C(N)=O)ccc1Oc1nn(C)cc1[N+](=O)[O-] 962716278 WKXSYSQMZPPKNF-SFHVURJKSA-N 443.485 3.607 5 1 IHBF CC(C)=CCC/C(C)=C/CSC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O 71333062 BVLASAMVGZAYSQ-KAPURRDVSA-N 442.559 3.752 5 1 IHBF C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2 299831431 PSOFWCMIGQGVAZ-VTJKGOPFSA-N 432.649 3.712 5 1 IHBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 586961457 ROLLMYZBTUAWGE-VHSSKADRSA-N 427.486 3.561 5 1 IHBF Cc1onc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079408 JNXHQCHCEYZMIX-UHFFFAOYSA-N 438.187 3.894 5 1 IHBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587268645 AKYKAOAKFLNQLI-UHFFFAOYSA-N 443.529 3.817 5 1 IHBF CN(C)CCN1C(=O)c2cccc3c2c(cc2nc(-c4ccc([N+](=O)[O-])cc4)oc23)C1=O 95589488 HDJBCTYAVVYNJY-UHFFFAOYSA-N 430.420 3.714 5 1 IHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 587872003 SHTUHTYGFFUIRA-UHFFFAOYSA-N 440.431 3.521 5 1 IHBF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c3cccc1c32 963031950 RZPJZYFWJGRMLN-SPLOXXLWSA-N 433.493 3.679 5 1 IHBF COc1cc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc(OC)c1O 299836092 GDYKQCDEAXJNRR-GOSISDBHSA-N 441.443 3.874 5 1 IHBF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587334871 MVMXDJBWZQZFGL-XMSQKQJNSA-N 438.342 3.785 5 1 IHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 587574202 DSUUMYKZIPHNHG-KNQAVFIVSA-N 433.376 3.841 5 1 IHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2OCC(=O)O)N1 587747945 RABRURQODPSMPI-LZVRBXCZSA-N 439.237 3.583 5 1 IHBF Cc1cc(Br)cc2c1N[C@@H](c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)NC2=O 1857645120 VGYWXHWUCJUXFV-QGZVFWFLSA-N 428.246 3.910 5 1 IHBF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C 586933627 UOSJQLWCYOHKIF-GFCCVEGCSA-N 433.328 3.650 5 1 IHBF COc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)[C@@H](O)C4 14455726 YHXWPTCZEWMDBD-SFHVURJKSA-N 426.465 3.949 5 1 IHBF biogenic,in-vitro O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1F)c1cccc2c1OCCO2 169337255 RUNBGSDFAASQCI-HJWRWDBZSA-N 439.399 3.729 5 1 IHBF O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(=O)c3cc(Cl)ccc3s2)CC1 1772655665 MFGAWVVUZLQEBQ-UHFFFAOYSA-N 445.888 3.572 5 1 IHBF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 4050170 LPNWDTQVQZOXIG-SAJDGTNDSA-N 443.887 3.760 5 1 IHBF Cc1onc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079848 OQFBRSKCIRDBMF-UHFFFAOYSA-N 427.730 3.747 5 1 IHBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(Br)cc(Cl)cn12 1857772278 MXNNWAYMTJJJIP-UHFFFAOYSA-N 430.667 3.632 5 1 IHBF O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cc([N+](=O)[O-])ccn1 13587612 NDEXRLSYNXSBIM-UHFFFAOYSA-N 441.327 3.570 5 1 IHBF O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(Br)cn12 96939366 LTYFJVOTHJCQDZ-UHFFFAOYSA-N 430.667 3.632 5 1 IHBF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccc2C(F)(F)F)C1=C(O)OCCO[N+](=O)[O-] 2356840867 XGQFGRCJTBKQKL-CQSZACIVSA-N 431.323 3.766 5 1 IHBF O=C1C[C@H](c2c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c3ccccn23)C(=O)N1c1ccccc1 103228421 YCFVPQFVFPMNBK-MRXNPFEDSA-N 430.376 3.956 5 1 IHBF COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)c1 221594893 JGTHMINPALUEFJ-STAYPELNSA-N 445.475 3.625 5 1 IHBF CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc([N+](=O)[O-])c1Cl 586928244 ZXOCIDWVKXCFKQ-UHFFFAOYSA-N 431.760 3.517 5 1 IHBF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@H](C[N+](=O)[O-])c1ccc(F)cc1 1857766729 LCPYZTWGAKNAPB-HRCADAONSA-N 441.550 3.855 5 1 IHBF N=C(N)c1ccc2[nH]c(-c3cc(-c4nnn[nH]4)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1 26379789 VNWYCSZZOWCQRV-UHFFFAOYSA-N 440.423 3.580 5 1 IHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 587868677 OJDDYYKBSNQXDX-NSHDSACASA-N 436.346 3.988 5 1 IHBF CCOC(=O)c1ccccc1[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c(C(=O)O)cccc21 963124498 RDKCIBLYGGRNTJ-RUZDIDTESA-N 446.459 3.907 5 1 IHBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)C2)o1 1772655085 DZVGYEQVNZZXTK-QFIPXVFZSA-N 433.468 3.771 5 1 IHBF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc(N)n2)cc1 28762076 COAOCDHONUETOD-UHFFFAOYSA-N 447.495 3.586 5 1 IHBF