smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1 13560135 XOWQUXFGRDTGSN-UHFFFAOYSA-N 418.469 2.565 5 1 HFBF CC(C)(C)OC(=O)N[C@@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857609419 LVDQKTBITSYXML-CYBMUJFWSA-N 409.439 2.866 5 1 HFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cc(-c2cnn3ccc(Cl)nc23)cn1 473124733 OQOSJDFXPZMLPT-UHFFFAOYSA-N 418.822 2.700 5 1 HFBF Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2cc1[N+](=O)[O-] 587136172 WPTYVKKLCLIZFX-UHFFFAOYSA-N 400.338 2.675 5 1 HFBF CN1CCN(C(COc2ccc([N+](=O)[O-])cc2)COc2ccc([N+](=O)[O-])cc2)CC1 2178320066 DNUDLXVULIWSID-UHFFFAOYSA-N 416.434 2.577 5 1 HFBF COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13757417 CTNMKDMXDXFPNV-AWEZNQCLSA-N 414.370 2.512 5 1 HFBF C[C@@H](COC(=S)Nc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1C(=O)O 28522286 JCQYMZNEUDHYIM-NSHDSACASA-N 403.416 2.825 5 1 HFBF O=C(CCCCCn1cc(C(=O)Nc2nccs2)c(=O)c2ccccc21)NO 138878169 WNGQMFHUAREHMN-UHFFFAOYSA-N 400.460 2.776 5 1 HFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587264478 GCJDNIZTRNFYNP-QMMMGPOBSA-N 407.364 2.799 5 1 HFBF Cn1ncc([N+](=O)[O-])c1[C@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181209 NYFDNOASXWBVSN-XHDPSFHLSA-N 418.759 2.863 5 1 HFBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1ccncc1[N+](=O)[O-] 963156230 ZIJLQXLOVMSQJD-XIKOKIGWSA-N 420.447 2.956 5 1 HFBF CN(C)CCCNc1ccc(CNS(C)(=O)=O)c2sc3ccccc3c(=O)c12 100892920 IXGSWYMDKWRKLB-UHFFFAOYSA-N 419.572 2.828 5 1 HFBF NCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(Cl)cc1 61948720 HJECRSWEXWTQOE-UHFFFAOYSA-N 422.894 2.512 5 3 HFBF Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377386518 ZACUYABEJXXGMP-NAFWKYLOSA-N 408.454 2.665 5 1 HFBF O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@@H]2C1)c1ccccc1[N+](=O)[O-] 169316183 OQXGJNWWMDHNFI-MRXNPFEDSA-N 419.485 2.548 5 1 HFBF CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775691 HOFPKTGEQICCCH-SNVBAGLBSA-N 405.407 2.777 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-] 586941958 YKQHNWNNCFELST-UHFFFAOYSA-N 407.477 2.683 5 1 HFBF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc([N+](=O)[O-])cc1 169351897 HIHVTKVLKIJGQL-QGZVFWFLSA-N 420.381 2.788 5 1 HFBF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F 13760182 VOJCXCWFWTUSGS-HNNXBMFYSA-N 418.349 2.679 5 1 HFBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1F 586947101 SMYVXXIBRDQUGD-GFCCVEGCSA-N 420.422 2.735 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OCO5)CC2)ccc1[N+](=O)[O-] 587263280 PXFPWBBLNZIXRE-UHFFFAOYSA-N 409.402 2.683 5 1 HFBF COCCOc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1[N+](=O)[O-] 587266049 UVGKWZXZBGZXKW-UHFFFAOYSA-N 411.462 2.915 5 1 HFBF COc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c([N+](=O)[O-])cc1O 962971128 SMRGSLRHWXZWPD-MGPLVRAMSA-N 414.748 2.929 5 1 HFBF Cc1onc(-c2nc3c(S)nc(S)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079085 GVQTVHLIRXKCPS-UHFFFAOYSA-N 424.855 2.700 5 1 HFBF O=c1c2cc(Br)ccc2nc2c3ccccc3c(N3CCOCC3)nn12 1772612228 VEHDYGXUWSBREJ-UHFFFAOYSA-N 411.259 2.995 5 1 HFBF Cn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657447 XHBRATVUUPZMPM-UHFFFAOYSA-N 411.324 2.672 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262174 FMQJGMZNINJFBR-IEBDPFPHSA-N 419.381 2.517 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587264984 QYMIGADMOWNIBK-MLXNANBUSA-N 420.313 2.961 5 1 HFBF CCNCCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc(OC)cnc1-2 1772655955 AZIHKCQBIHZGQA-UHFFFAOYSA-N 408.414 2.524 5 1 HFBF CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(O)c4c(=O)c1c23 5741440 KLRWUXYFLIVSCV-UHFFFAOYSA-N 410.474 2.915 5 1 HFBF in-vivo NC1=N[C@@H](c2ccc([N+](=O)[O-])cc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71295861 ZJQIOTIGCMABLE-MRXNPFEDSA-N 402.842 2.579 5 1 HFBF COc1c2c(cc3c1c(=O)c1cc4ccccc4nc1n3C)OC(C)(C)[C@@H](O)[C@H]2O 299830876 YNDWIPBYTOYDBS-FPOVZHCZSA-N 406.438 2.814 5 1 HFBF O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45260566 CKWKACLVNMROJP-WMZOPIPTSA-N 405.414 2.629 5 1 HFBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)nc1C(F)(F)F 587117429 DDOIFSGZGDYCTP-UHFFFAOYSA-N 405.296 2.897 5 1 HFBF Cn1ncc([N+](=O)[O-])c1[C@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181205 NYFDNOASXWBVSN-IAQYHMDHSA-N 418.759 2.863 5 1 HFBF COc1cc(OC)cc(OCC[S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 73196111 TYGSEVQLSPVOEW-SANMLTNESA-N 412.445 2.554 5 1 HFBF CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085830 XKKQFOUMTZUFIA-UHFFFAOYSA-N 420.491 2.675 5 1 HFBF COc1ccc2[nH]c3c(C(=O)NCCN(C)C)ccc4c3c(nn4CCN(C)C)c2c1 26985618 OTVYOCVJQWERRL-UHFFFAOYSA-N 422.533 2.532 5 1 HFBF Cc1onc(-c2nc3cc(CCO)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079959 PWJHDMLLZONJDX-UHFFFAOYSA-N 402.798 2.868 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(F)cc3)cn1)C2 72122768 MVAYZTSCKJFIBX-INIZCTEOSA-N 400.366 2.849 5 1 HFBF COc1ccc(-[n+]2noc(O)c2CNc2nc3c([N+](=O)[O-])cccc3s2)cc1 98085128 RLGZLTJITBMDFU-UHFFFAOYSA-O 400.396 2.796 5 1 HFBF O=C(O)C[C@H](Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-])C(=O)O 26507359 NPXKPNYJEQAEFA-AWEZNQCLSA-N 419.367 2.544 5 1 HFBF CN(C)C1C=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)C=C1 2356871660 CVBMYDSOXCPBFX-UHFFFAOYSA-N 413.215 2.655 5 1 HFBF CCN(CC)CCN(C)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 247968704 HBENUUNTQSRYDY-IAGOWNOFSA-N 400.479 2.828 5 3 HFBF CC[C@H]1C[N+]2([O-])CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 33832491 UQZWROIYWUBTCH-JYKZDLLSSA-N 400.475 2.713 5 1 HFBF biogenic,in-vitro CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586935972 KRTDBJPPOBPDRZ-CYBMUJFWSA-N 407.477 2.639 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@H](N)N=O)cc2[nH]1 587266189 JGALQZQSVOOPTP-OCJYXSBASA-N 415.366 2.637 5 1 HFBF COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1OC 587267160 VAEIXGWVPQUZQV-HUTHGQBESA-N 417.378 2.931 5 1 HFBF O=C1COc2cc(Br)ccc2N1CCc1nc2cncc([N+](=O)[O-])c2[nH]1 587002865 PCNWNPYBDMGZRO-UHFFFAOYSA-N 418.207 2.597 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587260669 YTJAGLNHPNSWAW-HLTSFMKQSA-N 411.212 2.894 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 587266200 JLTHEUSYVVZAOQ-UOWDBTKRSA-N 419.325 2.751 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587266933 CNRCDSKASHTSJK-LBPRGKRZSA-N 406.468 2.616 5 1 HFBF CN1CCN(CCC(=O)NN2c3ccccc3Sc3cc([N+](=O)[O-])ccc32)CC1 82157786 RWHFFGWWHGLRHL-UHFFFAOYSA-N 413.503 2.866 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cncc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940908 JWGFOUBXWJEGIP-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF COc1ccc2c(CCNS(=O)(=O)c3ccccc3)c(C(C)=O)[nH]c2c1[N+](=O)[O-] 1620074 XOPILLUOEYVAQW-UHFFFAOYSA-N 417.443 2.808 5 1 HFBF COCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136022 CWFMFZTXIKZOJM-HUUCEWRRSA-N 413.478 2.910 5 1 HFBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)nc1C(F)(F)F 587117139 AIMHGIQJKWBKOM-UHFFFAOYSA-N 405.296 2.897 5 1 HFBF COc1cccc(N2CCN(CCn3cnc4c(cnc5ccccc54)c3=O)CC2)c1 72106580 SAFJLSWCDKVTPG-UHFFFAOYSA-N 415.497 2.776 5 1 HFBF CCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 210463087 QFCZUZBYJFHYTR-UHFFFAOYSA-N 416.381 2.642 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc([N+](=O)[O-])c1Cl 586927048 SDEIIKGKZVWXFA-UHFFFAOYSA-N 407.795 2.777 5 1 HFBF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136020 CWFMFZTXIKZOJM-GASCZTMLSA-N 413.478 2.910 5 1 HFBF Cc1nc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1Br 586920749 XHJSFZDZGLJPKW-UHFFFAOYSA-N 411.237 2.911 5 1 HFBF CN(C)S(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95582360 WNCZEVIAAFYSTI-UHFFFAOYSA-N 408.483 2.540 5 1 HFBF C[C@H]1C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 962731709 TVUMLFMYROZNRP-OYNDJOJWSA-N 414.380 2.551 5 1 HFBF O=C(N[C@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 1857604147 GOHCNNUQLXUZGZ-IYBDPMFKSA-N 412.402 2.974 5 1 HFBF O=C(NCc1ccc(-c2ccc(F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 73198087 IORKEBUTVQHWHU-KRWDZBQOSA-N 411.393 2.858 5 1 HFBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C 82083656 ULNZGOHHKWVWQM-LBPRGKRZSA-N 420.491 2.720 5 1 HFBF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101345029 OPUCKZXLLQAVDR-ZBFHGGJFSA-N 405.366 2.551 5 1 HFBF COC(=O)[C@H](c1c([N+](=O)[O-])cn2c1CCCC2)S(=O)(=O)Cc1ccc(C)cc1 1772587712 RCTVYFFSLIHBOT-SFHVURJKSA-N 406.460 2.870 5 1 HFBF CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2c1c(=O)n(C)c(=O)n2C 4185813 OVBKPNSVSMINOJ-SFHVURJKSA-N 416.478 2.592 5 1 HFBF Cc1c(O)ccc2c1[C@](C)(c1ncc([N+](=O)[O-])cc1Br)N[C@H](C(=O)O)C2 963509376 MQFOPUGVAYNOLZ-YVEFUNNKSA-N 422.235 2.629 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 587266193 JLTHEUSYVVZAOQ-JKYUHCHBSA-N 419.325 2.751 5 1 HFBF CCOC(=O)[C@@]1(CC(=O)c2cccc([N+](=O)[O-])c2)NCCc2c1c(C(C)C)nn2C 962915088 FTAAZMYMUGAMRD-NRFANRHFSA-N 414.462 2.629 5 1 HFBF Cc1nc([N+](=O)[O-])cn1C[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1 1772636301 UXQXLDCNKYIBNU-CYBMUJFWSA-N 414.293 2.590 5 1 HFBF C[C@H]1COC2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)O1 169350171 MOEZWDSPGRQAHB-JTQLQIEISA-N 410.370 2.530 5 1 HFBF COCCNc1ccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1[N+](=O)[O-] 587262089 NXVFZHSZGKSPKS-UHFFFAOYSA-N 400.391 2.992 5 1 HFBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586947191 YJQCVOJKYSCKKC-AWEZNQCLSA-N 416.459 2.904 5 1 HFBF NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 586931144 MMNVXLYMEXFFLP-UHFFFAOYSA-N 411.237 2.689 5 1 HFBF C[N+]1(CCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCOCC1 43074884 YIFIAWPDMQZCDS-UHFFFAOYSA-O 402.474 2.653 5 1 HFBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 56219234 GQXHEQXXOYOMDC-KRWDZBQOSA-N 404.423 2.594 5 1 HFBF O=C(NCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82135760 PSUQCJSWTUPDKH-UHFFFAOYSA-N 419.441 2.818 5 1 HFBF CCCCO[C@@H](COCc1c(C)noc1C)CO[P@@](=O)(O)OCC[N+](C)(C)C 40915883 BHVGVGRJFCTIIR-KRWDZBQOSA-O 423.467 2.833 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(C(F)(F)F)nc3)cn1)C2 66259384 LQHOIDODATVBSP-LBPRGKRZSA-N 422.323 2.640 5 1 HFBF CC1=C(c2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)NNC(=O)C1 587270396 NKMKZXCSPIRUEE-UHFFFAOYSA-N 407.386 2.618 5 1 HFBF O=S(=O)(O)c1ccc2[nH]c3c(ncc4[nH]c5ccc(S(=O)(=O)O)cc5c43)c2c1 26475932 KBZPTCWXWCOUKD-UHFFFAOYSA-N 417.424 2.844 5 1 HFBF CN1C(=O)[C@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C(=O)C1=Cc1cccc(O)c1 2356875751 IZOWWISJSDKJLC-IBGZPJMESA-N 420.425 2.664 5 1 HFBF COCCNc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1[N+](=O)[O-] 587265180 LVIJFGBNWWLMBN-UHFFFAOYSA-N 410.478 2.948 5 1 HFBF COCCNc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1[N+](=O)[O-] 587261675 FSXVFNWMAZJNCA-UHFFFAOYSA-N 400.391 2.992 5 1 HFBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1 1772573197 YBRZTSJGKUYNEZ-ZDUSSCGKSA-N 414.293 2.590 5 1 HFBF O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCN(c2ccccn2)CC1 2957323 VZYDMMYJXXENBI-UHFFFAOYSA-N 419.872 2.859 5 1 HFBF C[P@](=O)(O)[C@@H](NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12 13440539 FZJVQWMHVKPDJP-QGZVFWFLSA-N 404.319 2.638 5 1 HFBF CC[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587185917 YJCGXKSLDQAKNI-SNVBAGLBSA-N 412.191 2.975 5 1 HFBF C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC 33830932 NOAKEBKHIHDDFB-BUKIUNNGSA-N 410.470 2.800 5 1 HFBF biogenic,in-vitro O=[N+]([O-])c1cnc(/C=C/c2ccc(Br)cc2)n1CCn1cc(CO)nn1 1857651524 IGKJOOVOWZHXKN-ZZXKWVIFSA-N 419.239 2.508 5 1 HFBF O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587003455 VFXNRJGGLFQGIA-UHFFFAOYSA-N 418.207 2.597 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cnc3[nH]2)cc1[N+](=O)[O-] 586940916 KHBZKTIAHWZQHK-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF COC(=O)[N+]1=C(SC)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169730098 LKMPQVKFYZRLGB-HNNXBMFYSA-O 408.456 2.963 5 1 HFBF O=C(CN1CCC(N2CCCC2)CC1)Nc1cnc2c(c1)nc(O)c1ccccc12 13524037 CMQRPACWOBBRED-UHFFFAOYSA-N 405.502 2.987 5 1 HFBF Cc1ncc([N+](=O)[O-])n1CCn1cc(CNc2ccc(Br)cc2)nn1 653728706 QUZJXJXMTYOPJD-UHFFFAOYSA-N 406.244 2.766 5 1 HFBF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174550 GTGKSJOSSYHMDL-CQSZACIVSA-N 408.418 2.717 5 1 HFBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587267655 OOCXFIWXEXDCDH-MRVPVSSYSA-N 403.342 2.879 5 1 HFBF Cc1nn(C[C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1[N+](=O)[O-] 962980576 VBHIXCDPCHISFQ-PXAZEXFGSA-N 414.796 2.854 5 1 HFBF O=C(NCCCCN1CC[N+]2(CCOc3ccccc32)CC1)c1cc2ccccn2n1 1772625534 VWGCBHSNAGFTHA-UHFFFAOYSA-O 420.537 2.560 5 1 HFBF Cc1[nH]c(C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1Br 98207776 AUXATGQLTJKTRN-UHFFFAOYSA-N 408.256 2.788 5 1 HFBF in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586920111 MQSRHYWSFMHBSG-UHFFFAOYSA-N 401.379 2.770 5 1 HFBF N[C@@H](CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270533 MBMJEWAPGOXIFX-LBPRGKRZSA-N 418.797 2.931 5 1 HFBF COc1ccc2c(c1)CN(Cc1cnc(N)nc1N)C[C@H]2c1cccc([N+](=O)[O-])c1 13520533 SZNFKQXJHREVCC-IBGZPJMESA-N 406.446 2.706 5 1 HFBF Cc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980007 MHXVXKVOAGUGAE-UHFFFAOYSA-N 411.237 2.856 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 587868968 YLPZHLMRSQLTBO-UHFFFAOYSA-N 410.312 2.726 5 1 HFBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(Cl)(Cl)Cl 26379994 RPAWETVFISFWID-SSDOTTSWSA-N 405.643 2.527 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 586940946 LDYFTADCRJVOOQ-UHFFFAOYSA-N 423.432 2.580 5 1 HFBF COC(=O)c1ccnc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c12 587079095 HEQGOFCEOZHNBD-UHFFFAOYSA-N 417.769 2.514 5 1 HFBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc([N+](=O)[O-])ccc1OCC(=O)O 963604737 FHKNQVNBFSIJLM-BIBXISHDSA-N 402.403 2.699 5 1 HFBF COC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2n1 587269978 GXVORWGBJGONLQ-UHFFFAOYSA-N 409.402 2.673 5 1 HFBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587272912 BHHZVYUEZNYAJH-QMMMGPOBSA-N 403.342 2.765 5 1 HFBF O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45260569 CKWKACLVNMROJP-AEFFLSMTSA-N 405.414 2.629 5 1 HFBF COc1ccc(C[C@H](OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1OC 95591858 NVKDKZUAOGWMTP-OPUMOTSWSA-N 401.371 2.864 5 1 HFBF CN(C)CCNC(=O)c1c2ccccc2c(C(=O)NCCN(C)C)c2ccccc12 27199710 CXAACUCHADNQGC-UHFFFAOYSA-N 406.530 2.576 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 377376566 QFLGHJKUQZFHRL-JBJBFBLISA-N 408.454 2.580 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 587265571 GCUWNZULACOQHW-CLAHSXSESA-N 402.323 2.822 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 587267402 YKSYHEGZUDXLMC-RTHLEPHNSA-N 401.335 2.612 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)F)cc3)cn1)C2 66258798 NUBJJYQZESWQFO-AWEZNQCLSA-N 419.344 2.828 5 1 HFBF O=C1CC=C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)NN1Cc1ccc(F)cc1 587164431 QLOITBWNDCWKHA-UHFFFAOYSA-N 412.337 2.796 5 1 HFBF COc1cc(COC(=O)N[C@@H](Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC 17220494 SXTNDAGZLZBIMS-LBPRGKRZSA-N 410.404 2.596 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)=O)cc3[nH]2)cc1[N+](=O)[O-] 586941811 WYMIUBFXYNVVKR-UHFFFAOYSA-N 420.472 2.874 5 1 HFBF COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC 586976494 VEWUIXIJVIOLNP-CYBMUJFWSA-N 408.212 2.694 5 1 HFBF COc1ccc([N+](=O)[O-])c([C@@H]2NCC3(CCOCC3)c3cc(OC)c(OC)cc32)n1 963191376 OKFFWYZMHHFEQG-LJQANCHMSA-N 415.446 2.756 5 1 HFBF COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)CN(C)C)C(C)(C)O2 28705859 XDXMTOPQNNEQDS-SFHVURJKSA-N 410.470 2.715 5 1 HFBF CC(C)NS(=O)(=O)c1ccc2c(c1)/C(=C/Nc1ccccc1[N+](=O)[O-])C(=O)N2 143820401 YWALJTJFZGESMY-UVTDQMKNSA-N 402.432 2.687 5 1 HFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(C(F)(F)F)c2[nH]1 587272752 QATPXZBYERUNDB-KBPBESRZSA-N 410.308 2.523 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587266188 JGALQZQSVOOPTP-KHQRDOKYSA-N 415.366 2.637 5 1 HFBF CCOC(=O)[C@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 64246538 MRDNIZGAHIXZSC-CZUORRHYSA-N 408.838 2.664 5 1 HFBF O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 13832625 ADEWDPHDHCJVIC-UHFFFAOYSA-N 410.474 2.792 5 1 HFBF O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3C[C@H]2C1)c1ccccc1[N+](=O)[O-] 103281973 OQXGJNWWMDHNFI-INIZCTEOSA-N 419.485 2.548 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 587267399 YKSYHEGZUDXLMC-CLAHSXSESA-N 401.335 2.612 5 1 HFBF CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cc([N+](=O)[O-])ccc13)c(=O)n2C 587647694 MTRDIIVFVRKICB-UHFFFAOYSA-N 424.461 2.637 5 1 HFBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)NCCN1CCNCC1 1772624912 DWTPDXNUNBHWPB-UHFFFAOYSA-N 416.529 2.539 5 1 HFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587117557 KLPUIQJSNYQLIU-UHFFFAOYSA-N 415.244 2.860 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] 587868214 HYELUJAKLXWPRC-UHFFFAOYSA-N 410.312 2.611 5 1 HFBF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 73224017 SPLUYEYMSZNKHN-UHFFFAOYSA-N 409.508 2.835 5 1 HFBF Cn1c2cccc(C(N)=O)c2nc2ccc3c(-c4ccc(O)cc4)c(=O)oc(=O)c3c21 238770649 UQZZYXZLIDTNNP-UHFFFAOYSA-N 413.389 2.665 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587260671 YTJAGLNHPNSWAW-IWSPIJDZSA-N 411.212 2.894 5 1 HFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)cnc(Br)c2[nH]1 587274916 WMPIVMISZCOSPJ-UHFFFAOYSA-N 416.033 2.944 5 1 HFBF O=c1oc2ccccc2c2nn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 1857596396 WYRZUNNRZCHIBG-UHFFFAOYSA-N 405.775 2.941 5 1 HFBF C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)O1 40867155 BQZVHMPXEVFAQV-RYUDHWBXSA-N 403.435 2.977 5 1 HFBF COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587178553 FRSKEISZXSGPIF-UHFFFAOYSA-N 411.159 2.729 5 1 HFBF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 1657847 YFSRBYPZGUIXRO-UHFFFAOYSA-N 402.451 2.529 5 1 HFBF CC(=O)c1ccc(N2CCN(c3ccc(N4C(=O)CCC4=O)cc3[N+](=O)[O-])CC2)cc1 20740675 ZSHRKPJGGVVWHN-UHFFFAOYSA-N 422.441 2.777 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264470 SIKHJWVOAQSTOV-BCMRRPTOSA-N 410.224 2.684 5 1 HFBF COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3[N+](=O)[O-])C2=S)cc1OC 1857646251 BDQCBIURBKUXLS-UHFFFAOYSA-N 405.407 2.885 5 1 HFBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCO 4212882 YUTNYNNHYBFNTN-OALUTQOASA-N 423.466 2.734 5 1 HFBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 587871662 AZJNKKWQVYKOFZ-UHFFFAOYSA-N 406.395 2.633 5 1 HFBF CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])C1 5843506 BVGNKCVKOCTQQH-LLVKDONJSA-N 418.425 2.518 5 1 HFBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2N)C1 586955235 MCEIROJCSPLXJN-UHFFFAOYSA-N 421.866 2.691 5 1 HFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743914 BZXWMTTWNUMBES-XYZCENFISA-N 411.227 2.585 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C 587868811 UABMZKARGCCGDN-UHFFFAOYSA-N 410.312 2.726 5 1 HFBF Nc1ccc(S(=O)(=O)Nc2nccc(-n3ccc4cc([N+](=O)[O-])ccc43)n2)cc1 1911579957 PEJXDUANXUXOJY-UHFFFAOYSA-N 410.415 2.712 5 1 HFBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn2)c1 587270269 UGUWCSJPQFFUIJ-UHFFFAOYSA-N 405.418 2.551 5 1 HFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O 587432720 LGHJNGZQNQCJGG-HXPMCKFVSA-N 415.354 2.564 5 1 HFBF COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC 587647854 RMVPKWOXJNURDN-UHFFFAOYSA-N 421.369 2.897 5 1 HFBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587267659 OOCXFIWXEXDCDH-QMMMGPOBSA-N 403.342 2.879 5 1 HFBF C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](C(=O)OC3CCCCC3)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 103228787 SZZOHVTYEBTUAC-KINXCBNHSA-N 414.522 2.946 5 1 HFBF COC(C(=O)O[C@@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1cccs1)c1cccs1 103242109 TYCNIKSCDDPXCO-XBDAJRGFSA-N 406.549 3.000 5 1 HFBF Cc1c(Br)cnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586919782 HLUABMZQXMGDOT-UHFFFAOYSA-N 411.237 2.911 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 587266683 MXERZBPZUWEKJL-BCTVWOGZSA-N 401.335 2.642 5 1 HFBF COc1cc(OC)cc(OCC[S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 73196110 TYGSEVQLSPVOEW-AREMUKBSSA-N 412.445 2.554 5 1 HFBF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82219621 DQSKRSAMAAOYAD-UHFFFAOYSA-N 408.418 2.684 5 1 HFBF COc1ccc([N+](=O)[O-])c(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])c1 13526418 JJOSMDXPIZUWGB-UHFFFAOYSA-N 400.299 2.912 5 1 HFBF COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)O2)cc(OC)c1OC 45253036 SPKDIOSZEMOVSE-LJQANCHMSA-N 401.375 2.860 5 1 HFBF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82192134 ORHNXVJZJPITEK-HNNXBMFYSA-N 400.464 2.989 5 1 HFBF O=[N+]([O-])c1ccc2sc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])c4no[n+]([O-])c34)nc2c1 473235087 LDEIWOHJATTWGA-UHFFFAOYSA-N 419.291 2.539 5 1 HFBF O=[N+]([O-])c1cccc(S(=O)(=O)NCCCCCCNc2nsc3nccn23)c1 13641265 ZVLNLMIPMOOORI-UHFFFAOYSA-N 424.508 2.650 5 1 HFBF O=C1N[C@@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45285997 ZXZKEFPPCSYGIH-AEFFLSMTSA-N 405.414 2.629 5 1 HFBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)cc1 586954335 HAGIIZNUBHABPD-UHFFFAOYSA-N 401.448 2.743 5 1 HFBF CCCc1cc(=O)c2c(O)c(OC)c3cc(OS(=O)(=O)O)cc(OC)c3c2o1 13406179 BNOQAFUDIFHJOZ-UHFFFAOYSA-N 410.400 2.803 5 1 HFBF biogenic COc1ccc(-c2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)on2)cc1OC 1857652570 UBWSSYKGBQRNHK-UHFFFAOYSA-N 419.415 2.746 5 1 HFBF COc1ccc([C@@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169124 YVNFPUSFYFOKAN-IEBWSBKVSA-N 418.402 2.732 5 1 HFBF COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cn2)cc1F 66252282 ZAXYFQYRCSKOPW-AWEZNQCLSA-N 400.366 2.979 5 1 HFBF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586924968 DCFMMXFHPVKAIC-UHFFFAOYSA-N 418.387 2.598 5 1 HFBF NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587142247 POXMUFKXDFTDLE-UHFFFAOYSA-N 415.200 2.687 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(O)c3[nH]2)cc1 586920770 XVXCDHUKPMJSFQ-UHFFFAOYSA-N 412.221 2.913 5 1 HFBF COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1[N+](=O)[O-] 84597131 ZCAVUGDPVLXAKR-VOTSOKGWSA-N 409.416 2.912 5 1 HFBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 1772580719 YSVSVRJCMXOTGE-SFHVURJKSA-N 419.434 2.840 5 1 HFBF CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 12382692 LTAJSQLTORSAHL-NTLWEQJWSA-N 421.446 2.538 5 1 HFBF CCOc1ccc(-c2nc(C(N)=O)c3nc(O)n(-c4cccc([N+](=O)[O-])c4)c3n2)cc1 1857550376 YLYQAVJITAOQNA-UHFFFAOYSA-N 420.385 2.594 5 1 HFBF Cn1cc(/C=C2/C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)c2cc([N+](=O)[O-])ccc21 1857636392 LWIQJWIQVPZBME-MNBXNJIQSA-N 416.430 2.737 5 1 HFBF O=[N+]([O-])c1cnc2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 587188898 YEFTXZKKWHKWFU-UHFFFAOYSA-N 406.143 2.785 5 1 HFBF O=C(CN1CCC(N2CCCC2)CC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1 3815860 XEKQXWYAIADGIV-UHFFFAOYSA-N 405.502 2.575 5 1 HFBF in-vitro CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82134762 BATCSPYUAQEWGB-UHFFFAOYSA-N 411.462 2.761 5 1 HFBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586944968 ABBBQTQDPXAWFN-CYBMUJFWSA-N 416.459 2.904 5 1 HFBF O=C(O)c1ccc2oc3ccc(OC[C@@H](O)COCC(F)(F)F)cc3c(=O)c2c1 169321990 GJKCOOKXIWAECG-NSHDSACASA-N 412.316 2.963 5 1 HFBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587267286 WJVMSBNKXLJMTQ-XXFAHNHDSA-N 415.362 2.700 5 1 HFBF COc1ccc(NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)cc1 103292161 WTDFIUVSOHHNQQ-UHFFFAOYSA-N 405.410 2.509 5 1 HFBF Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1 1772636302 UXQXLDCNKYIBNU-ZDUSSCGKSA-N 414.293 2.590 5 1 HFBF Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 103521813 FSTGDOHAOBLQKP-HNNXBMFYSA-N 416.393 2.541 5 1 HFBF COc1cc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)O2)cc(OC)c1OC 45245872 HSEAEGLUDIAIJV-LJQANCHMSA-N 401.375 2.860 5 1 HFBF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 27987245 OPUCKZXLLQAVDR-GDBMZVCRSA-N 405.366 2.551 5 1 HFBF O=C1NC(/C=C/c2ccc([N+](=O)[O-])cc2)=C(C(=O)O)[C@H](c2ccc([N+](=O)[O-])cc2)N1 103187834 PGOIPIONOHZIPO-QYSIDVQXSA-N 410.342 2.909 5 1 HFBF CCOC(=O)C1=C(C)N2CCCO[C@]2(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 299814892 VYJIGLZLCDRKOF-BBTUJRGHSA-N 418.446 2.757 5 1 HFBF C[C@H]1C[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 962731710 TVUMLFMYROZNRP-RYLSYTLKSA-N 414.380 2.551 5 1 HFBF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586944969 ABBBQTQDPXAWFN-ZDUSSCGKSA-N 416.459 2.904 5 1 HFBF CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO 4212875 YUTNYNNHYBFNTN-MOPGFXCFSA-N 423.466 2.734 5 1 HFBF COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1OC 587267163 VAEIXGWVPQUZQV-XYZCENFISA-N 417.378 2.931 5 1 HFBF O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)OCCc1ccccn1 82084932 QMKUVXBNSKHDJS-UHFFFAOYSA-N 412.427 2.629 5 1 HFBF C[C@@H](n1ncc2cccc([N+](=O)[O-])c21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951790 XJOUAEFHVRRNSV-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O 13560166 NBTWKPSAPGBCCD-QGZVFWFLSA-N 414.506 2.815 5 1 HFBF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 82219623 XPEHEZIWYLTAAT-UHFFFAOYSA-N 422.445 2.992 5 1 HFBF CC[C@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(C)nn23)[C@H]2CC[C@@H]1C2 40158671 ZYPSJPLZINNVOK-GJRWTSMGSA-N 423.542 2.979 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587260672 YTJAGLNHPNSWAW-VGMNWLOBSA-N 411.212 2.894 5 1 HFBF O=C1COc2cc3[nH]c(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)nc3cc2N1 587269600 FXWPCZRBIMYNCJ-UHFFFAOYSA-N 421.413 2.822 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(I)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261269 AEUVYMVSXLIHOJ-KXUCPTDWSA-N 413.215 2.828 5 1 HFBF COC(=O)C1=C(C[S@](=O)c2ccccc2[N+](=O)[O-])ON(C)[C@@H]1c1ccccc1 17191191 BOHJGMFFFQLPIO-KWMCUTETSA-N 402.428 2.748 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262172 FMQJGMZNINJFBR-DVVUODLYSA-N 419.381 2.517 5 1 HFBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 587270509 LEODSWXRORLNRR-UHFFFAOYSA-N 416.488 2.858 5 1 HFBF CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)n1 587868428 KYRINJMXMPGDIS-UHFFFAOYSA-N 410.312 2.786 5 1 HFBF O=C(O)CCCCCNC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1 6536225 WYHHVZLGTMCKOR-UHFFFAOYSA-N 402.340 2.700 5 1 HFBF in-vivo C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(I)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263218 KRHWGKRKUZQBRN-FBIMIBRVSA-N 413.215 2.828 5 1 HFBF O=[N+]([O-])c1cncc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587188896 YCLSYQXCQINREU-UHFFFAOYSA-N 406.143 2.785 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274983 YREPARSLFQVDLI-GFCCVEGCSA-N 406.468 2.550 5 1 HFBF CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC 238732026 UQZWROIYWUBTCH-MMCPEOGESA-N 400.475 2.713 5 1 HFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743719 BGHWPKWAXRPLJI-XLFHBGCDSA-N 411.227 2.585 5 1 HFBF CC(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O 3614056 AQIDWBRXCNUVNG-BMQTXXJKSA-N 421.446 2.538 5 1 HFBF Nc1nc2c(cnn2CCCc2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)nn12 13471728 OAQZQVKTUMEBRY-UHFFFAOYSA-N 404.390 2.857 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587261359 BMUUGMHHLXAWFO-JEZHCXPESA-N 411.212 2.894 5 1 HFBF COCCNc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1[N+](=O)[O-] 587264163 BQMAPWUJJHJVBZ-UHFFFAOYSA-N 422.445 2.952 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1)C2 72178901 QSPILGILXATJAU-SMDDNHRTSA-N 424.339 2.553 5 1 HFBF COC(=O)C1=C(C)N=C(Cn2ccnc2)/C(=C(/O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 27723830 PYPNXLBDMBOQFU-QTIQAUKSSA-N 412.402 2.893 5 1 HFBF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ncc([N+](=O)[O-])cc1Br)NCC2 962929170 HDOFCUPXFILDNG-GOSISDBHSA-N 419.279 2.863 5 1 HFBF COc1cc([C@H]2C(=O)NC(=O)N2c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC 1857763337 DWPNTLRTTITUQT-INIZCTEOSA-N 401.375 2.727 5 1 HFBF CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084808 MPBURECDVRRXBG-UHFFFAOYSA-N 420.491 2.771 5 1 HFBF COCOC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3[N+](=O)[O-])oc12 13526462 YMHOQDYKGSSKLY-UHFFFAOYSA-N 414.326 2.966 5 1 HFBF Cn1cc([N+](=O)[O-])cc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)cc21 27099311 BJFOIXNLLIRNKT-UHFFFAOYSA-N 400.366 2.675 5 1 HFBF CC[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1cc(I)c(C)n1 587185121 QETZWEVJULXLBF-NSHDSACASA-N 412.191 2.975 5 1 HFBF O=C1c2cc3c(cc2OCN1CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1O3 72173511 NIVXWOWMSGYKKQ-IBGZPJMESA-N 409.398 2.584 5 1 HFBF CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCOC)[C@H]1c1cccc([N+](=O)[O-])c1 137726899 HYOVUNOASVUIDZ-WMZOPIPTSA-N 404.419 2.796 5 1 HFBF CCCN1CCN(c2ncc(CCN(C)C(=O)c3ccc([N+](=O)[O-])cc3)s2)CC1 98084368 YQGHTBYGRJMOGA-UHFFFAOYSA-N 417.535 2.898 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)F)cc3)nc1)C2 66258846 CEKXIJLRIBIJKZ-AWEZNQCLSA-N 419.344 2.828 5 1 HFBF Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377386521 ZACUYABEJXXGMP-SQUZYCJSSA-N 408.454 2.665 5 1 HFBF Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661121 MTUUIOKGONVYGU-UHFFFAOYSA-N 407.361 2.956 5 1 HFBF COC(=O)[N+]1=C(SC)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 169730099 LKMPQVKFYZRLGB-OAHLLOKOSA-O 408.456 2.963 5 1 HFBF C[C@@H](n1ncc2c([N+](=O)[O-])cccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951785 FGVVYMJNLZDRNZ-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 82083041 GTRDFMISXOHXON-NSHDSACASA-N 400.416 2.746 5 1 HFBF CN1CC[C@]23Cc4nc5cc([N+](=O)[O-])ccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95561653 QVXHAOQUKUUSQN-WXFUMESZSA-N 417.465 2.877 5 1 HFBF N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587185925 PGMCEAKGLPJSJJ-LLVKDONJSA-N 409.187 2.713 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587261564 CJKHPPKCZIBYKM-SSDOTTSWSA-N 406.786 2.630 5 1 HFBF COc1ccc([C@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169139 YVNFPUSFYFOKAN-HKUYNNGSSA-N 418.402 2.732 5 1 HFBF CCCN1CCN(c2nc(CCN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cs2)CC1 98082644 SXERFUHYELFRAV-UHFFFAOYSA-N 417.535 2.898 5 1 HFBF COC(=O)c1cc(Br)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 587273482 BLRLZDWLBFWSPL-UHFFFAOYSA-N 408.212 2.850 5 1 HFBF COc1cc2c(c(CO)c1OC)C[C@H]1c3c(cc4c(c3OC)OCO4)CC[N+]1(C)C2 14587531 OBEOFZPLEIVBQA-KEJDIYNNSA-N 414.478 2.734 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(OC(F)(F)F)cc3)ncn1)C2 72124384 QGHGJODMFTZBAC-LBPRGKRZSA-N 423.307 2.987 5 1 HFBF O=C1Nc2ccccc2[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@H]([N+](=O)[O-])[C@H]1CSCN12 221599267 GXFMFNCCNGMILA-YWTNHNAXSA-N 412.427 2.560 5 1 HFBF COc1ccc(CNc2ccccc2C(N)=O)c2nc3cccc(C(N)=O)c3nc12 473154286 GEFDDKNOOFDCEX-UHFFFAOYSA-N 401.426 2.602 5 1 HFBF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587472070 XITXPEGUQCVNEG-GDCKJWNLSA-N 400.435 2.922 5 1 HFBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587194458 UAQRDKSLBWJVMH-SNVBAGLBSA-N 408.415 2.897 5 1 HFBF C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713638 KWSRNRRKGLZQES-NARAOEGZSA-N 421.519 2.833 5 3 HFBF CCOC(=O)[C@@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 64246540 MRDNIZGAHIXZSC-BBRMVZONSA-N 408.838 2.664 5 1 HFBF COc1ccc(S(=O)(=O)N(Cc2cccc(C)c2[N+](=O)[O-])[C@H](C)C(=O)O)cc1 13440884 VQOQTIBUYKRANO-CYBMUJFWSA-N 408.432 2.576 5 1 HFBF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@@H](c2cccc([N+](=O)[O-])c2)C[C@@H]3[C@H]1C5 26834693 IMPLQOALNUQROW-NYCMXOJFSA-N 408.454 2.724 5 1 HFBF COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1 1772599234 KWVCATVDUJCDJM-UHFFFAOYSA-N 416.409 2.525 5 1 HFBF Cc1ccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)c(Cl)c1 263591971 JIVLAOXCKADNRH-UHFFFAOYSA-N 403.782 2.785 5 3 HFBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1Cc1ccccc1 299829658 UYXJHRHLQWNTGF-CWDXBIFSSA-N 409.394 2.845 5 1 HFBF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587260012 QBJIVFDFAHDDJU-NSHDSACASA-N 404.224 2.575 5 1 HFBF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587142194 NDMGUYICCXBKKP-UHFFFAOYSA-N 415.200 2.687 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 587265572 GCUWNZULACOQHW-RMLUDKJBSA-N 402.323 2.822 5 1 HFBF COc1cccc2cc3c(nc12)[C@@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)NCC3 963043734 ABXMFKLWBIVTGP-HXUWFJFHSA-N 409.398 2.850 5 1 HFBF O=[N+]([O-])c1ccc(-c2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)on2)cc1 1857649968 VSJVJTKEWWTPGS-UHFFFAOYSA-N 404.360 2.637 5 1 HFBF COC(=O)c1cccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 587266680 MWUUJLPOAPCDIQ-RFAUZJTJSA-N 415.362 2.700 5 1 HFBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl 27557312 YAHFPZRNVXPGHX-SSDOTTSWSA-N 405.643 2.527 5 1 HFBF Cc1[nH]c2ccccc2c1CCN1CCN(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 169343986 ZPAMPZWSNXMVIG-UHFFFAOYSA-N 407.474 2.890 5 1 HFBF COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c([N+](=O)[O-])cc1O 962971134 SMRGSLRHWXZWPD-QLJPJBMISA-N 414.748 2.929 5 1 HFBF CNC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587620562 DUQNXTCWBJBAPN-UHFFFAOYSA-N 418.431 2.554 5 1 HFBF C[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042190 VLCNLUMFKYQLJK-QBMUGXQSSA-N 421.519 2.833 5 3 HFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ncc[nH]c-2n1 586949137 QTACDBBVPDBGNV-UHFFFAOYSA-N 410.415 2.989 5 1 HFBF O=C(N[C@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O)C(=O)c1c[nH]c2ccccc12 27558567 PNMUPHMEOJAMGP-GOSISDBHSA-N 420.381 2.552 5 1 HFBF O=[N+]([O-])c1cc(COc2nnnn2-c2ccc(Br)cc2)cc([N+](=O)[O-])c1 169331788 XPAUPULBXDOPMJ-UHFFFAOYSA-N 421.167 2.820 5 1 HFBF CCCCO[C@H](COCc1c(C)noc1C)CO[P@@](=O)(O)OCC[N+](C)(C)C 40915885 BHVGVGRJFCTIIR-QGZVFWFLSA-O 423.467 2.833 5 1 HFBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2NCCc3c(C(=O)O)cccc32)c1 963125201 SEFJMYFJRBFNSC-IBGZPJMESA-N 400.387 2.772 5 1 HFBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C 82082484 CXEQCQBGTUNDEB-MRXNPFEDSA-N 420.491 2.578 5 1 HFBF CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2c1c(=O)n(C)c(=O)n2C 4185810 OVBKPNSVSMINOJ-GOSISDBHSA-N 416.478 2.592 5 1 HFBF O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652714 FTDLNXJADGRPHI-UHFFFAOYSA-N 409.789 2.891 5 1 HFBF N[C@@H](CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271005 WFHJUFIADKHRTP-HNNXBMFYSA-N 423.408 2.695 5 1 HFBF O=[N+]([O-])c1cccc(-n2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 169331298 PZBIXBLQGZDPHG-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF COc1ccc([C@H]2[C@@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169134 YVNFPUSFYFOKAN-PKOBYXMFSA-N 418.402 2.732 5 1 HFBF CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-] 28124899 PHGHHSGCGVGHKT-UHFFFAOYSA-N 402.384 2.532 5 1 HFBF Cc1onc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079040 FOIKRIWVDXMMCB-UHFFFAOYSA-N 404.730 2.636 5 1 HFBF N[C@@H](CCc1nc2cc(Br)ncc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270517 LKNMFRBQHGXFGC-NSHDSACASA-N 419.239 2.527 5 1 HFBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 962637478 MCONXZBUPUFETP-MEBBXXQBSA-N 422.319 2.829 5 1 HFBF COc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] 587660980 KBIVGXMKKUWWMR-UHFFFAOYSA-N 423.360 2.656 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261358 BMUUGMHHLXAWFO-FKTZTGRPSA-N 411.212 2.894 5 1 HFBF COCCNC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 621476490 FXGZWMWSKQWDNC-UHFFFAOYSA-N 419.393 2.925 5 1 HFBF CN1CC[C@]23Cc4nc5c([N+](=O)[O-])cccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95562022 SDEJUWHCEOCOIV-GMKZXUHWSA-N 417.465 2.877 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(I)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587263217 KRHWGKRKUZQBRN-DVVUODLYSA-N 413.215 2.828 5 1 HFBF C[C@]1(CN2CCc3oc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857535409 SKNXRCADEZQWSP-IBGZPJMESA-N 417.372 2.934 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(I)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261268 AEUVYMVSXLIHOJ-BBBLOLIVSA-N 413.215 2.828 5 1 HFBF COc1ccc(-c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)n2)cc1F 66258995 LCUKKZFUHLVEHK-AWEZNQCLSA-N 400.366 2.979 5 1 HFBF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 95580617 WLQUNFXQNLBHCV-UHFFFAOYSA-N 419.397 2.860 5 1 HFBF CC(C)OC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OC(C)C)C(=O)C[C@@]1(C)O 971077 LTAJSQLTORSAHL-BMQTXXJKSA-N 421.446 2.538 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 587265677 WMTREXOEHGSULS-KWKYVRJSSA-N 419.325 2.751 5 1 HFBF COC(=O)C1=C(C[S@](=O)c2ccccc2[N+](=O)[O-])ON(C)[C@H]1c1ccccc1 102942752 BOHJGMFFFQLPIO-XDBZFTIUSA-N 402.428 2.748 5 1 HFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101448515 WGHUJKZNOQWPTN-CNJAWSQJSA-N 403.483 2.596 5 1 HFBF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccccc3[N+](=O)[O-])n2)n[nH]1 261119180 JHVMOSZMDRINOY-UHFFFAOYSA-N 410.438 2.704 5 1 HFBF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1772587798 XNLFZORWVJHMHV-ASHKIFAZSA-N 405.354 2.787 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C 587868503 NJRBUFGSGXLJJI-UHFFFAOYSA-N 410.312 2.611 5 1 HFBF O=C(NCc1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150091 DTGCUEXUWIIUOG-UHFFFAOYSA-N 419.441 2.818 5 1 HFBF Cn1ncc([N+](=O)[O-])c1[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181207 NYFDNOASXWBVSN-NHYWBVRUSA-N 418.759 2.863 5 1 HFBF Cc1c(O)ccc2c1[C@@](C)(c1ncc([N+](=O)[O-])cc1Br)N[C@H](C(=O)O)C2 963509375 MQFOPUGVAYNOLZ-SJCJKPOMSA-N 422.235 2.629 5 1 HFBF Cc1nc2ccccc2c(=O)n1CC(=O)NCc1nc2ccc([N+](=O)[O-])cc2s1 299827706 QQBVDJKVEOIDDY-UHFFFAOYSA-N 409.427 2.539 5 1 HFBF C[C@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O 2356683322 QGQYHFISKVQYSF-MRVPVSSYSA-N 422.349 2.538 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587264983 QYMIGADMOWNIBK-KWKYVRJSSA-N 420.313 2.961 5 1 HFBF C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 40867157 BQZVHMPXEVFAQV-VXGBXAGGSA-N 403.435 2.977 5 1 HFBF O=C(O)CCc1ccc2c(=O)c3sc4c(=O)c5ccccc5c(=O)c4c3c(=O)c2c1 1857617419 VILOGHXGLRCKCF-UHFFFAOYSA-N 416.410 2.695 5 1 HFBF COC(=O)c1cc(Cl)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 586920094 MDHXDIRRJYXEOJ-UHFFFAOYSA-N 409.807 2.885 5 1 HFBF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434032 PDUGRZQNZBBENM-FKIZINRSSA-N 415.354 2.564 5 1 HFBF COc1cc(Br)c([C@@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC 586976665 WVCQOIRGAVWLDP-CYBMUJFWSA-N 408.212 2.694 5 1 HFBF COc1cc(OC)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587265000 BMPQWTHRQPANAF-ABKXIKBNSA-N 417.378 2.931 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc([N+](=O)[O-])c1Cl 586927183 UDIWMBVNQKPQTB-UHFFFAOYSA-N 409.807 2.966 5 1 HFBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12 586946653 NVZTVNUJGUUPQA-ZDUSSCGKSA-N 402.432 2.595 5 1 HFBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1 1772573194 YBRZTSJGKUYNEZ-CYBMUJFWSA-N 414.293 2.590 5 1 HFBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCO 4212879 YUTNYNNHYBFNTN-RBUKOAKNSA-N 423.466 2.734 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 587266855 POVSZQFUYLEYIR-VXJOIVPMSA-N 401.335 2.612 5 1 HFBF CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCN(C)CC1 26820469 DITZIUNAERIGDI-KRWDZBQOSA-N 417.399 2.821 5 1 HFBF Cc1ccc2[nH]c3c4c(OS(=O)(=O)O)ccc(O)c4c4c(c3c2c1)C(=O)NC4=O 28710888 SUICSWFGCPYXSC-UHFFFAOYSA-N 412.379 2.554 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C[N+](=O)[O-] 587261360 BMUUGMHHLXAWFO-QNSHHTMESA-N 411.212 2.894 5 1 HFBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 962637477 MCONXZBUPUFETP-BONVTDFDSA-N 422.319 2.829 5 1 HFBF O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 49708924 HZQSNIPAXCLSSC-UHFFFAOYSA-N 423.301 2.500 5 1 HFBF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82193462 RJEDFURNPXWWSY-WBVHZDCISA-N 402.476 2.982 5 1 HFBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C 82083664 DDRMDUVWHRSFQY-ZDUSSCGKSA-N 420.491 2.722 5 1 HFBF COc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(c(OC)c3[C@@H]1[C@H]2O)OCO4 14637099 OZRXSATYYHTYDB-BEWYTNLXSA-N 400.451 2.732 5 1 HFBF CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N2C[C@@H](C)O[C@]12C 26948171 RIOXXGSSBDSGMG-PKCKUPPXSA-N 418.446 2.755 5 1 HFBF COc1cc(OC(C)=O)c2c(=O)c3c(OC(C)=O)c(OC(C)=O)ccc3oc2c1 238731039 DAGUCLNZABTZIA-UHFFFAOYSA-N 400.339 2.731 5 1 HFBF COC(=O)c1cccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 587266681 MWUUJLPOAPCDIQ-VFZGTOFNSA-N 415.362 2.700 5 1 HFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(I)cnc2[nH]1 587270007 HKERTLUMKBMVAP-NSHDSACASA-N 409.187 2.713 5 1 HFBF COc1c(N2COCC2(C)C)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 29123513 OUOKWCWIJWAZJY-UHFFFAOYSA-N 421.381 2.663 5 1 HFBF Cc1cc(C)c2c(=O)n(CCN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)sc2n1 96910912 PGVZUMVHMBWIHQ-UHFFFAOYSA-N 413.503 2.805 5 1 HFBF O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1ncc2ccc(Cl)cc2c1=O 587653207 RPSMPTWZDLDJMG-UHFFFAOYSA-N 409.789 2.891 5 1 HFBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2cccnc12 13863147 WKAXMHRUZCQWFT-ZDUSSCGKSA-N 415.427 2.807 5 1 HFBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccnc(Br)c1 587939308 DFFKALIDKTZDOP-UHFFFAOYSA-N 408.212 2.833 5 1 HFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587117506 KADDGHHBAFAWSP-UHFFFAOYSA-N 424.383 2.875 5 1 HFBF Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] 586947439 YJHOEYNLLXJXRW-CQSZACIVSA-N 416.459 2.904 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1OC1CC1)C2 72179276 YQFGIOXRKGNSPZ-NSHDSACASA-N 414.340 2.782 5 1 HFBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586945910 CVCLLRFOIQVCOB-AWEZNQCLSA-N 402.432 2.595 5 1 HFBF C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)C(Cl)(Cl)Cl 13863117 RPAWETVFISFWID-ZETCQYMHSA-N 405.643 2.527 5 1 HFBF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cccc(OC)c5c4CC[N+]3([O-])C[C@H]2CC[C@H]1O 14827796 SANIGXXUGRLAGR-NUFXHPDGSA-N 400.475 2.668 5 1 HFBF COc1cccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])c1[N+](=O)[O-] 13526415 SOSYQSAHQLQSMX-UHFFFAOYSA-N 400.299 2.912 5 1 HFBF CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 13726510 PJCKCTODZPQSKT-UHFFFAOYSA-N 410.456 2.789 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)nc3[nH]2)cc1[N+](=O)[O-] 586941507 ULPVXTWSUZUZLI-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc([N+](=O)[O-])cc1)(C1CCNCC1)NCC2 962935145 YUWRTYNALGTSJC-QHCPKHFHSA-N 408.502 2.686 5 1 HFBF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)[C@@H](c2cccc([N+](=O)[O-])c2)C[C@H]3[C@H]1C5 26834695 IMPLQOALNUQROW-SJBGRVAXSA-N 408.454 2.724 5 1 HFBF O=[N+]([O-])c1ccc(-c2nnc3n2ccc2nnc(-c4ccc([N+](=O)[O-])cc4)n23)cc1 28712777 FTUJKLMZJVAYMO-UHFFFAOYSA-N 402.330 2.922 5 1 HFBF O=[N+]([O-])c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nn1CC(F)(F)F 587091282 IDOYQLGBLDCYEL-UHFFFAOYSA-N 410.356 2.729 5 1 HFBF CCN(CC)CCN(C)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] 4684034 HBENUUNTQSRYDY-IRXDYDNUSA-N 400.479 2.828 5 3 HFBF O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 49679859 NWIHGYSBAFPBLR-UHFFFAOYSA-N 423.301 2.500 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-] 586941758 WDZSPRPPYZAFIV-UHFFFAOYSA-N 414.415 2.950 5 1 HFBF CC(C)(C)OC(=O)N[C@H]1CCOC2(CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1857609420 LVDQKTBITSYXML-ZDUSSCGKSA-N 409.439 2.866 5 1 HFBF O=C1Nc2ccccc2[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]([N+](=O)[O-])[C@@H]1CSCN12 169322120 GXFMFNCCNGMILA-MJQMVNBJSA-N 412.427 2.560 5 1 HFBF COc1cccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 586941677 VBVRJGQCLWPHEC-UHFFFAOYSA-N 408.461 2.680 5 1 HFBF CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2oc4ccccc4n23)CC1 150572131 OQMSYDAMLLAQKT-UHFFFAOYSA-N 423.400 2.705 5 1 HFBF COc1cc(COC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC 1634805 FNJAUMNMJVSACJ-INIZCTEOSA-N 418.402 2.876 5 1 HFBF COc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3cc2c1 27527288 FGYHLONDRHSUDG-UHFFFAOYSA-N 409.534 2.662 5 1 HFBF COC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263403 TXIKSUVZNZKLCO-UHFFFAOYSA-N 423.429 2.741 5 1 HFBF COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587390849 RYZCMODXJQQCKY-HNNXBMFYSA-N 402.359 2.664 5 1 HFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)c(Cl)cc2[nH]1 587273314 RIGOBDWRZQQNNK-KBPBESRZSA-N 411.201 2.811 5 1 HFBF CN1CCN(c2cc(OC(=O)C(C)(C)C)c3nc4ccc(=[N+](C)C)cc-4oc3c2)CC1 28643540 ZQIIWHSMUCTCQV-UHFFFAOYSA-N 423.537 2.668 5 1 HFBF O=C(Nc1ccccc1)N1CCN(c2nc(=O)c3cc([N+](=O)[O-])ccc3s2)CC1 1772629591 XCKMLWHOBQLNCQ-UHFFFAOYSA-N 411.443 2.919 5 1 HFBF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 82158107 LSZAWCHCKLCJLT-UHFFFAOYSA-N 409.508 2.835 5 1 HFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(I)cnc2[nH]1 587269039 ICHKRNJEFOVLID-UHFFFAOYSA-N 424.154 2.862 5 1 HFBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(C[C@@H](O)CO)c4c21)C(=O)NC3=O 13554124 JMYQFLAMZXRYGY-GFCCVEGCSA-N 413.433 2.676 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587264987 QYMIGADMOWNIBK-ZIDLFYJRSA-N 420.313 2.961 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)ccnc3[nH]2)cc1[N+](=O)[O-] 586941191 QRJBFGVEGVQHRO-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF COC(=O)[C@@H](c1c([N+](=O)[O-])cn2c1CCCC2)S(=O)(=O)Cc1ccc(C)cc1 1772587711 RCTVYFFSLIHBOT-GOSISDBHSA-N 406.460 2.870 5 1 HFBF NS(=O)(=O)c1ccc(-c2nn3cc(-c4ccc([N+](=O)[O-])cc4)nc3s2)cc1 1772621539 RKKVZDFFTSEMRB-UHFFFAOYSA-N 401.429 2.680 5 1 HFBF CC1CCN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82147973 PNXUEFBWFPZIKU-UHFFFAOYSA-N 411.462 2.761 5 1 HFBF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc([N+](=O)[O-])cc1 169351898 HIHVTKVLKIJGQL-KRWDZBQOSA-N 420.381 2.788 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(OC(F)F)cc3)cn1)C2 66259383 WWWKLEUMOKZAJU-AWEZNQCLSA-N 419.344 2.828 5 1 HFBF COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1OC 587267162 VAEIXGWVPQUZQV-XLFHBGCDSA-N 417.378 2.931 5 1 HFBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc([N+](=O)[O-])ccc1OCC(=O)O 963604743 FHKNQVNBFSIJLM-YBTHPKLGSA-N 402.403 2.699 5 1 HFBF O=C1N[C@@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45285995 ZXZKEFPPCSYGIH-WMZOPIPTSA-N 405.414 2.629 5 1 HFBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1F 586947102 SMYVXXIBRDQUGD-LBPRGKRZSA-N 420.422 2.735 5 1 HFBF COc1ccc([N+](=O)[O-])c([C@H]2NCC3(CCOCC3)c3cc(OC)c(OC)cc32)n1 963191374 OKFFWYZMHHFEQG-IBGZPJMESA-N 415.446 2.756 5 1 HFBF CCc1c2c(nc3ccccc13)-c1c([N+](=O)[O-])c3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 66128688 BBPOCBRPGURDJB-QFIPXVFZSA-N 421.409 2.550 5 1 HFBF COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC(=O)O 587390850 RYZCMODXJQQCKY-OAHLLOKOSA-N 402.359 2.664 5 1 HFBF O=C(Cc1ccc(-c2cc[nH]n2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938236 BFPXVGAJEAPYQA-UHFFFAOYSA-N 419.485 2.914 5 1 HFBF O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 586952918 JTKITNFNMAHDPI-UHFFFAOYSA-N 402.417 2.790 5 1 HFBF CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772632078 ZNNSSJXNDFKACI-SFHVURJKSA-N 417.443 2.589 5 1 HFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 101448511 WGHUJKZNOQWPTN-RPMOLYCXSA-N 403.483 2.596 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264471 SIKHJWVOAQSTOV-HDBBIHSSSA-N 410.224 2.684 5 1 HFBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(N2CCOCC2)cc1 587649412 UQIKZFYCUBWPMR-UHFFFAOYSA-N 409.398 2.930 5 1 HFBF CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82174507 MVFBBTHDGHOKIF-UHFFFAOYSA-N 422.445 2.992 5 1 HFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 587118347 PHCYBPBVJYMFAV-UHFFFAOYSA-N 412.372 2.984 5 1 HFBF Nc1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268131 LPDNTCSVVOBNLB-UHFFFAOYSA-N 416.566 2.768 5 1 HFBF CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N2C[C@H](C)O[C@@]12C 26952312 RIOXXGSSBDSGMG-PCFVPNCDSA-N 418.446 2.755 5 1 HFBF O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@](=O)c2ncccn2)cc1 35933056 JHLQXUBKYWQXPW-GDLZYMKVSA-N 411.399 2.513 5 1 HFBF CCn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4o3)c(N)n(CCCOC)c2c1=O 9444015 ROEQCOGXHCLOCH-UHFFFAOYSA-N 412.406 2.553 5 3 HFBF Cc1ccc([C@@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 64553126 SQXNPLNBYUXBBY-IBGZPJMESA-N 411.443 2.558 5 1 HFBF COc1ccccc1NC(=O)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O 103292156 ZLGOFMKDBZCHGG-UHFFFAOYSA-N 405.410 2.509 5 1 HFBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587194456 UAQRDKSLBWJVMH-JTQLQIEISA-N 408.415 2.897 5 1 HFBF CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587268685 BIJQNYXLCJYBCK-UHFFFAOYSA-N 415.475 2.989 5 1 HFBF CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCO 4212871 YUTNYNNHYBFNTN-RTBURBONSA-N 423.466 2.734 5 1 HFBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CN[C@@H](C(F)(F)F)C3)cc1 13687062 NONXZJAVDFYVCB-OAHLLOKOSA-N 401.366 2.972 5 1 HFBF O=C1Nc2ccccc2[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]([N+](=O)[O-])[C@H]1CSCN12 221599319 GXFMFNCCNGMILA-VXIBKDFQSA-N 412.427 2.560 5 1 HFBF CCOC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270024 HPVPLIZKDLEEAI-HNNXBMFYSA-N 411.418 2.546 5 1 HFBF COc1ccc(-c2ccnc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1F 66262709 MCVGFHLYMPPSTK-HNNXBMFYSA-N 400.366 2.979 5 1 HFBF CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)C[N+](=O)[O-] 299885339 VIIJDXBZKAZABZ-AYBZRNKSSA-N 421.494 2.848 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3ccnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 586940984 LXLQMQFFQMEAEK-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF COCCOc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1[N+](=O)[O-] 587266490 YYFJRIPRHMCZOG-UHFFFAOYSA-N 403.307 2.980 5 1 HFBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)NCCN1CCOCC1 1772578507 TYTIWJWJEDDXNF-UHFFFAOYSA-N 417.513 2.966 5 1 HFBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)n1 587272870 CXGNABSLKBEBNK-UHFFFAOYSA-N 403.342 2.594 5 1 HFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)[C@@H](C2)C3=O 587434430 VFJWLDFQMSFLNO-HTAPYJJXSA-N 409.442 2.844 5 1 HFBF O=C(N[C@@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O)C(=O)c1c[nH]c2ccccc12 27558570 PNMUPHMEOJAMGP-SFHVURJKSA-N 420.381 2.552 5 1 HFBF CC(=O)c1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772632077 ZNNSSJXNDFKACI-GOSISDBHSA-N 417.443 2.589 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc([N+](=O)[O-])c1Cl 586925708 ICVYDSAZZJYWFR-UHFFFAOYSA-N 421.744 2.955 5 1 HFBF O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45260563 CKWKACLVNMROJP-SJLPKXTDSA-N 405.414 2.629 5 1 HFBF Cc1cc(N(C)Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c([N+](=O)[O-])cc1F 587137172 RGWKCQVGSMHZIM-UHFFFAOYSA-N 421.454 2.805 5 1 HFBF CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 169295989 AQIDWBRXCNUVNG-NEYJZJCJSA-N 421.446 2.538 5 1 HFBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(C[C@H](O)CO)c4c21)C(=O)NC3=O 13554125 JMYQFLAMZXRYGY-LBPRGKRZSA-N 413.433 2.676 5 1 HFBF O=C(O)c1cnn(-c2ccccc2)c1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1857649253 WQPDWXOEKZQSLT-UHFFFAOYSA-N 420.337 2.837 5 1 HFBF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 28017040 YAXGFQAEJUDQCN-UHFFFAOYSA-N 411.418 2.736 5 1 HFBF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587260591 VGIUQPPAMYQZBN-MIMYLULJSA-N 424.251 2.773 5 1 HFBF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c([N+](=O)[O-])c2)c(OC)c1 169338502 GSUHKWHNKMPPNM-AATRIKPKSA-N 424.431 2.610 5 1 HFBF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434033 PDUGRZQNZBBENM-YUNKPMOVSA-N 415.354 2.564 5 1 HFBF CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2c(O)cnc3ccccc23)CC1 653857033 QRVVCJLPEKRRHS-UHFFFAOYSA-N 407.430 2.853 5 1 HFBF CC(C)(C)S(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28012559 UVECLMRJCCXGAI-CQSZACIVSA-N 412.386 2.516 5 1 HFBF COc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)ccn2)cc1F 66263128 VSTGSJVUEHIKDT-AWEZNQCLSA-N 400.366 2.979 5 1 HFBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C 82083967 FKHLYGWKOVJJQS-CYBMUJFWSA-N 420.491 2.722 5 1 HFBF Cn1cc([N+](=O)[O-])c([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962926075 LFNSKRKIRCWHFW-LAUBAEHRSA-N 424.413 2.689 5 1 HFBF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c([N+](=O)[O-])cc1O 962971131 SMRGSLRHWXZWPD-QFYYESIMSA-N 414.748 2.929 5 1 HFBF COc1cc(OCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1[N+](=O)[O-] 587262043 MPEYXRDWIQBFRV-UHFFFAOYSA-N 409.402 2.814 5 1 HFBF CC(C)OC(=O)[C@H]1C[C@@](C)(O)C(=O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 13136535 DFQLPYSPKQLGGU-GRXQJBFDSA-N 421.446 2.538 5 1 HFBF O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 100285763 QQICTSNXQWQHQU-AYBQMASMSA-N 419.437 2.958 5 1 HFBF COC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1OC 587117538 KIMWEHHUBLUMDN-UHFFFAOYSA-N 413.312 2.838 5 1 HFBF COc1ccc(-c2cncc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)cc1F 66251966 HTFVCBBGZNCKQP-HNNXBMFYSA-N 400.366 2.979 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263421 UBKKUEBJRSYWMP-SFHVURJKSA-N 423.433 2.678 5 1 HFBF O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 100285765 QQICTSNXQWQHQU-MGMMFMINSA-N 419.437 2.958 5 1 HFBF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587472071 XITXPEGUQCVNEG-QJRAZLAKSA-N 400.435 2.922 5 1 HFBF CC(=O)N1C[C@@H](OCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc21 40422768 KZLHGWUGXVNTRI-ZDUSSCGKSA-N 400.313 2.642 5 1 HFBF CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1ncc2ccc(Cl)cc2c1=O 587653171 RBNVVZMQUJLKBS-PXNMLYILSA-N 412.789 2.776 5 1 HFBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@@](O)(CC(C)=O)C(C)(C)O2 39033207 WSWMMKOBWWHBLZ-QHCPKHFHSA-N 409.438 2.764 5 1 HFBF CC(=O)Oc1cc(C(=O)Cc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O 27755174 NTUDCXWPUHGYHF-UHFFFAOYSA-N 402.315 2.779 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 587266686 MXERZBPZUWEKJL-VPTHRUTESA-N 401.335 2.642 5 1 HFBF Cc1onc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080484 WEPGMFZXPXVDBI-UHFFFAOYSA-N 400.786 2.617 5 1 HFBF CCOC(=O)C1CCN(C(=O)c2ccc3nc4ccc(Cl)cc4c(=O)n3c2)CC1 4659327 BUXFTISKUFNYQV-UHFFFAOYSA-N 413.861 2.916 5 1 HFBF C[C@H]1C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 962731713 TVUMLFMYROZNRP-ZMJMNJSJSA-N 414.380 2.551 5 1 HFBF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 82193467 PPJUZPBIDTYCKO-RDJZCZTQSA-N 402.476 2.982 5 1 HFBF Cc1ccccc1NC(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1 201471637 IIGYMYIYRGOBAZ-UHFFFAOYSA-N 413.415 2.968 5 3 HFBF O=[N+]([O-])c1ncn(CCCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1 73167466 OZWROCGVSBCCDG-UHFFFAOYSA-N 412.416 2.803 5 1 HFBF O=C1Nc2ccccc2[C@@]12[C@H](c1cccc([N+](=O)[O-])c1)[C@H]([N+](=O)[O-])[C@@H]1CSCN12 169322123 GXFMFNCCNGMILA-DODZYUBVSA-N 412.427 2.560 5 1 HFBF CN1CCN(CCNC(=O)c2cc3c4ccccc4n(C)c3c3cccnc23)CC1 96921189 VNXNYEITNUNFOH-UHFFFAOYSA-N 401.514 2.857 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cccc(C(=O)O)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263443 ULSFSDZHSFVLAI-UHFFFAOYSA-N 409.402 2.652 5 1 HFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587268382 UTYBSZCCUSADMP-UHFFFAOYSA-N 408.422 2.899 5 1 HFBF C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O 1772587799 XNLFZORWVJHMHV-PWFNWSNSSA-N 405.354 2.787 5 1 HFBF CO[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1n1ccc2c(C)c3nc4ccc(O)cc4c3c(C)c2c1 377386526 ZHVIQHHVEWYUCW-XSEFMFLKSA-N 408.454 2.931 5 1 HFBF C/C=C1/C[N+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3n(C)c2c(OC)cccc12 38899019 LXYOQAOPFZZHKS-LCPHVQDOSA-N 411.522 2.731 5 1 HFBF N[C@@H](CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270562 NMWFQKFVLNRGBH-NSHDSACASA-N 419.344 2.691 5 1 HFBF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26500082 HYCMHTKQSGQIDR-GOSISDBHSA-N 409.398 2.549 5 1 HFBF CC1(C)CC(N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 49793080 OHTDXSAFYXPXKY-LEWJYISDSA-O 402.515 2.920 5 1 HFBF COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 586925328 GVFSTSULNMMZFQ-UHFFFAOYSA-N 409.807 2.982 5 1 HFBF COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC 14587146 IPKWOZPFADULKT-PZJWPPBQSA-N 415.442 2.634 5 1 HFBF endogenous,in-man C[C@@H](n1ncc2ccc([N+](=O)[O-])cc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951788 AUWIFIFFUIKVFO-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF COc1ncc(-c2ccc3nc[nH]c(=NCCN4CCCCC4)c3c2)cc1[N+](=O)[O-] 1857616145 IRVWQBGEHKMMGH-UHFFFAOYSA-N 408.462 2.928 5 1 HFBF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(F)(F)F 13760190 RABWTLRTPNLWDQ-HNNXBMFYSA-N 418.349 2.679 5 1 HFBF C[C@@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95662024 QACBWQFEJAKWAM-DYVFJYSZSA-N 407.467 2.860 5 1 HFBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 587943511 GBNZEHMPEIJDKE-UHFFFAOYSA-N 411.139 2.519 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587260670 YTJAGLNHPNSWAW-HRDYMLBCSA-N 411.212 2.894 5 1 HFBF CC1(C)CC(N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 49793082 OHTDXSAFYXPXKY-SFTDATJTSA-O 402.515 2.920 5 1 HFBF COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1C 586942016 ZNFGPUCNSACNQC-UHFFFAOYSA-N 422.488 2.989 5 1 HFBF COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC 586976497 VEWUIXIJVIOLNP-ZDUSSCGKSA-N 408.212 2.694 5 1 HFBF CC(C)OC(=O)[C@@H]1C(=O)[C@](C)(O)C[C@@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 13136534 DFQLPYSPKQLGGU-PZTGFMGMSA-N 421.446 2.538 5 1 HFBF O=C(NCc1ccc(N2CCN(Cc3ccccc3)CC2)nc1)c1ccc([N+](=O)[O-])o1 35943579 LTDCTLMHZPMQSC-UHFFFAOYSA-N 421.457 2.835 5 1 HFBF CCC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 72178965 HIWDTYUPSAPXDN-LBPRGKRZSA-N 414.340 2.890 5 1 HFBF Cn1ncc([N+](=O)[O-])c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655975 FOCOMYNRYXJXDW-UHFFFAOYSA-N 411.324 2.672 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 587264890 AHBCSZXODOMFPT-XYZCENFISA-N 415.362 2.685 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 587266202 JLTHEUSYVVZAOQ-WJWGPLDTSA-N 419.325 2.751 5 1 HFBF O=c1c2ccccc2c(=O)c2c1sc1c(=O)c3ccc(CCCO)cc3c(=O)c12 1857573345 BATBFQXGBYBWEO-UHFFFAOYSA-N 402.427 2.602 5 1 HFBF C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4o3)CC2)O1 1857559122 NCYDDCKELYVOJL-VIFPVBQESA-N 415.324 2.847 5 1 HFBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C 82083667 DDRMDUVWHRSFQY-CYBMUJFWSA-N 420.491 2.722 5 1 HFBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCCCN(C)C 82083965 FKHLYGWKOVJJQS-ZDUSSCGKSA-N 420.491 2.722 5 1 HFBF CCc1ccccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 169337586 DAHKEOSNCIHHPG-ZDUSSCGKSA-N 401.371 2.788 5 1 HFBF C[C@@H](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)O)cc(O)c4c-3nc12)C(=O)O 238775514 QGQYHFISKVQYSF-QMMMGPOBSA-N 422.349 2.538 5 1 HFBF COc1cc(OC[C@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1ccccc1n2C 45301030 IRRPMFLGYZYMCW-INIZCTEOSA-N 413.426 2.574 5 1 HFBF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587260587 VGIUQPPAMYQZBN-DVVUODLYSA-N 424.251 2.773 5 1 HFBF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 13823994 NAUDPBJHJUYRNH-UHFFFAOYSA-N 412.490 2.936 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 587266687 MXERZBPZUWEKJL-ZKANADHPSA-N 401.335 2.642 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268671 IXHXWENLYLIUMG-UHFFFAOYSA-N 404.452 2.557 5 1 HFBF O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@](O)(c1ccccc1)C1CCC1 13825758 ZBFNVZWXSUBRHO-QHCPKHFHSA-N 409.486 2.974 5 1 HFBF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 82134345 PIYKENLIXWXZEW-UHFFFAOYSA-N 401.467 2.910 5 1 HFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 587262515 BHOIFJORJKHOOQ-UHFFFAOYSA-N 404.448 2.651 5 1 HFBF Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661024 KXUBAEWGPZBVOP-UHFFFAOYSA-N 407.361 2.956 5 1 HFBF Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1C(=O)NCCN1CCN(c2ccccn2)CC1 1847068 HVIFFYGJBRRCEP-UHFFFAOYSA-N 411.506 2.775 5 1 HFBF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587472073 XITXPEGUQCVNEG-XTXLJPNXSA-N 400.435 2.922 5 1 HFBF COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 299849882 WQSGZIBYJVYGGJ-JWUVWSEFSA-N 409.442 2.758 5 1 HFBF C[C@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1772587797 XNLFZORWVJHMHV-LOKFHWFJSA-N 405.354 2.787 5 1 HFBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCC(C)(C)N(C)C 82083960 GDMXCZBDJZVASL-LBPRGKRZSA-N 420.491 2.720 5 1 HFBF CN(C)CCCn1[nH]c2c3cc(O)ccc3nc3c(C(=O)NCCN(C)C)ccc1c32 26995927 LOVSDTYLMAOBPY-UHFFFAOYSA-N 422.533 2.620 5 1 HFBF O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45260560 CKWKACLVNMROJP-FUHWJXTLSA-N 405.414 2.629 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cc5cn[nH]c5cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263661 YSCYSCFEVZYOTF-UHFFFAOYSA-N 405.418 2.830 5 1 HFBF CC1=C(c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587265023 RHVHUWJEUCRXGU-UHFFFAOYSA-N 408.374 2.726 5 1 HFBF O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 1857604146 GOHCNNUQLXUZGZ-HZPDHXFCSA-N 412.402 2.974 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 377816229 AYZUTSFWGJOMSQ-FDTGPBLFSA-N 408.454 2.580 5 1 HFBF COc1ccc(-c2nc3c(cnn3-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)[nH]2)cc1 45285812 JNBIGNJGIMBVJV-UHFFFAOYSA-N 408.330 2.601 5 1 HFBF CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCN(C)CC1 26820464 DITZIUNAERIGDI-QGZVFWFLSA-N 417.399 2.821 5 1 HFBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587128245 KQGWDWDZULNLBD-UHFFFAOYSA-N 406.324 2.895 5 1 HFBF C/C=C1/C[N+]2([O-])CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@]4(COC(C)=O)C(=O)OC 33830933 NOAKEBKHIHDDFB-JJRBHSFRSA-N 410.470 2.800 5 1 HFBF O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2480263 OIPAXUNYIZTGRT-UHFFFAOYSA-N 415.333 2.507 5 1 HFBF COC(=O)[C@](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1 103225837 UFPOHCPPBJXCGI-ZFIYVHSTSA-N 414.522 2.588 5 1 HFBF CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1[nH]c([N+](=O)[O-])cc12 169343015 SBYRJSGBSPAOCZ-UHFFFAOYSA-N 401.419 2.846 5 1 HFBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)[C@@H](O)C3 43022640 SYVNUVQPCZJCOA-IYBDPMFKSA-N 411.417 2.521 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)cc1C(F)(F)F 653905745 LDIREWUNLYZOAB-LBPRGKRZSA-N 418.397 2.911 5 1 HFBF CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085770 XYFCGYIBWJGROB-UHFFFAOYSA-N 420.491 2.674 5 1 HFBF C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 40867153 BQZVHMPXEVFAQV-TXEJJXNPSA-N 403.435 2.977 5 1 HFBF CC(C)C(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73394834 ILGQACFPZQDHDY-PJQXDXOGSA-N 420.443 2.598 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cc4cn[nH]c4cc3[nH]2)cc1[N+](=O)[O-] 586941377 KBLZJMIYPZHUEP-UHFFFAOYSA-N 418.460 2.548 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 587265573 GCUWNZULACOQHW-RTHLEPHNSA-N 402.323 2.822 5 1 HFBF CCCCCCN[C@H](c1cccc([N+](=O)[O-])c1)[P@](=O)(O)CC[C@H](N)C(=O)O 1772646557 CZFHKLILBAYRNV-HOTGVXAUSA-N 401.400 2.836 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587266187 JGALQZQSVOOPTP-FOJFLGBKSA-N 415.366 2.637 5 1 HFBF COc1cc(-c2[nH]c(=O)[nH]c2C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 71340567 QYKNFMJYNVMMQI-UHFFFAOYSA-N 414.374 2.556 5 1 HFBF CC[C@H]1C[N+]2([O-])CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC 14686823 UQZWROIYWUBTCH-WULIRTLPSA-N 400.475 2.713 5 1 HFBF CCOC(=O)c1nn2c(O)nc3cc(Cl)c([N+](=O)[O-])cc3c2c1C(=O)OCC 29060792 NIZAJUMAEVYEMS-UHFFFAOYSA-N 408.754 2.503 5 1 HFBF O=C1Nc2c(c(=O)nc3sc([N+](=O)[O-])cn23)[C@H](c2ccccc2C(F)(F)F)N1 169729545 IKQIOHWTCAENHB-JTQLQIEISA-N 411.321 2.908 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 587265697 WMTREXOEHGSULS-ZIDLFYJRSA-N 419.325 2.751 5 1 HFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@H](OC(C)=O)O[C@@H]1O4 2356717721 VZHNKMOIUZYDEK-UHVYZBHASA-N 414.366 2.781 5 1 HFBF Cc1cc([N+](=O)[O-])ccc1NCn1nc(Cn2cc([N+](=O)[O-])nc2C)oc1=S 1857581364 STTRAMBULBPRDR-UHFFFAOYSA-N 405.396 2.953 5 1 HFBF CCOC(=O)Nc1cc(N[C@H](C)C(=O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27190084 HJNWAJHOSBUDFB-LLVKDONJSA-N 403.395 2.589 5 1 HFBF COc1ccc(Cn2cc(-c3cc(OC)c(OC)c(OC)c3)nn2)cc1[N+](=O)[O-] 58608960 GDBGWLRUKCDSSX-UHFFFAOYSA-N 400.391 2.936 5 1 HFBF C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857590836 QKFAWCODUYOUHU-IBGZPJMESA-N 417.372 2.934 5 1 HFBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1ccncc1[N+](=O)[O-] 963156227 ZIJLQXLOVMSQJD-SGTLLEGYSA-N 420.447 2.956 5 1 HFBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C(=O)[C@](O)(CC(C)=O)C(C)(C)O2 39033208 WSWMMKOBWWHBLZ-HSZRJFAPSA-N 409.438 2.764 5 1 HFBF NS(=O)(=O)c1ccc(-c2nn3cc(-c4cccc([N+](=O)[O-])c4)nc3s2)cc1 1772635876 DKRFYKHPXCLADG-UHFFFAOYSA-N 401.429 2.680 5 1 HFBF COc1ccc2c(=O)c3c(O)cc(OC)c([C@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC 14587143 IPKWOZPFADULKT-FPOVZHCZSA-N 415.442 2.634 5 1 HFBF endogenous,in-man CCOC(=O)[C@]1(CC(=O)c2cccc([N+](=O)[O-])c2)NCCc2c1c(C(C)C)nn2C 962915092 FTAAZMYMUGAMRD-OAQYLSRUSA-N 414.462 2.629 5 1 HFBF NS(=O)(=O)c1ccc(-c2nc3scc(-c4ccc([N+](=O)[O-])cc4)n3n2)cc1 1772621173 YBSYHFKOEIPBKS-UHFFFAOYSA-N 401.429 2.680 5 1 HFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@@H](OC(C)=O)O[C@@H]1O4 2356717720 VZHNKMOIUZYDEK-RMIDZRHBSA-N 414.366 2.781 5 1 HFBF COCCOc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] 587264651 HCTJZLGPYMKLQW-UHFFFAOYSA-N 412.446 2.996 5 1 HFBF CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc1 45211355 RLYPSXQVOPSMFA-UHFFFAOYSA-N 407.390 2.929 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)nc(S)nc2[nH]1 587261046 QPPWTZREDICOAP-SSDOTTSWSA-N 405.392 2.607 5 1 HFBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(I)cnc2[nH]1 587267973 KUPZFKLTRBFZFU-UHFFFAOYSA-N 412.191 2.839 5 1 HFBF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(=O)O 587389200 JUKJUKMQEPRNKC-OAHLLOKOSA-N 402.359 2.664 5 1 HFBF CN1C(=O)[C@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C(=O)[C@@H]1Cc1ccccc1 14765804 GJJXGBLNXDIHIQ-OALUTQOASA-N 406.442 2.529 5 1 HFBF biogenic N[C@@H](Cc1ccc(I)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587186545 XPSOXTXMHURCPJ-JTQLQIEISA-N 409.187 2.713 5 1 HFBF O=c1ccc2nc3ccccc3n3c-2c1[C@@H]1Cc2nc4cccc(O)c4nc2[C@H]3[C@H]1O 1772593502 OQUOQTDLXQJSML-GZNLOQRSSA-N 408.417 2.754 5 1 HFBF COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1 1857772913 JBJMLTGPFAGNJV-UHFFFAOYSA-N 405.443 2.665 5 1 HFBF COc1ccc(-[n+]2noc(O)c2CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 98085411 IJEWASGDKWIGRP-UHFFFAOYSA-O 400.396 2.796 5 1 HFBF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 82193469 PPJUZPBIDTYCKO-WBVHZDCISA-N 402.476 2.982 5 1 HFBF COc1cc(COC(=O)N[C@H](Cc2cccs2)C(=O)O)c([N+](=O)[O-])cc1OC 1634807 SXTNDAGZLZBIMS-GFCCVEGCSA-N 410.404 2.596 5 1 HFBF CCOC(=O)[C@H](C[C@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 64246542 MRDNIZGAHIXZSC-CJNGLKHVSA-N 408.838 2.664 5 1 HFBF O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586953362 MTJFSXZUMRDXQD-UHFFFAOYSA-N 402.417 2.790 5 1 HFBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 587262885 GXPRUNPUBUAARA-UHFFFAOYSA-N 404.448 2.651 5 1 HFBF O=[N+]([O-])c1cc(-c2nnn(Cc3ccc(Br)cc3)n2)cc([N+](=O)[O-])c1 1772601050 DSKDGMYFZKIOBA-UHFFFAOYSA-N 405.168 2.967 5 1 HFBF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101509131 WNVDHEHSSQPTQA-ZBFHGGJFSA-N 405.366 2.551 5 1 HFBF O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3ccco3)nc12 71315797 JDJJUXVHIQMLKU-VQIMIIECSA-N 422.397 2.555 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncc[nH]1)C2 72178900 QSPILGILXATJAU-FZMZJTMJSA-N 424.339 2.553 5 1 HFBF CN1CCN(c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)CC1 587091425 KGNPOZHXASMAJR-UHFFFAOYSA-N 409.372 2.649 5 1 HFBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586945915 CVCLLRFOIQVCOB-CQSZACIVSA-N 402.432 2.595 5 1 HFBF O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 4747827 QQICTSNXQWQHQU-ACLGETGGSA-N 419.437 2.958 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)nc3)nc1)C2 66258847 SKYPQAPGOBCNTC-LBPRGKRZSA-N 422.323 2.640 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)/N=[IH2]\c2ccccc2)cc1 16958831 PLLRSULCZLJOMW-UHFFFAOYSA-N 406.201 2.772 5 1 HFBF CCCCCCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 29466537 ZYRFBTNYRPBZFP-UHFFFAOYSA-N 422.702 2.804 5 1 HFBF Cc1nn(C)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1[N+](=O)[O-] 587660695 JDDDMEKPFWTVGQ-UHFFFAOYSA-N 407.361 2.841 5 1 HFBF CN1CCN(C(COc2cccc([N+](=O)[O-])c2)COc2cccc([N+](=O)[O-])c2)CC1 2178320133 JYBNHGQPGOKFGY-UHFFFAOYSA-N 416.434 2.577 5 1 HFBF C[C@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c1)C(F)(F)F 13760186 CZYLYKKQZQKEQV-HNNXBMFYSA-N 418.349 2.679 5 1 HFBF C[C@@H](n1cc2c([N+](=O)[O-])cccc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951818 UTCYEZLCMDTSGH-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF O=C(C[C@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc([N+](=O)[O-])cc1 35275423 ZZZBJPZLGWDOGF-GOSISDBHSA-N 421.461 2.636 5 1 HFBF O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3ccc([N+](=O)[O-])cc3)CN12 1911582273 SCNPGWXNBVKIAJ-UHFFFAOYSA-N 423.360 2.736 5 1 HFBF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c([N+](=O)[O-])cc1O 962971120 SMRGSLRHWXZWPD-HWPZZCPQSA-N 414.748 2.929 5 1 HFBF NS(=O)(=O)c1cc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c([N+](=O)[O-])c1 1857769886 QAQNAMKVJZAGRL-UHFFFAOYSA-N 420.325 2.611 5 1 HFBF O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])[nH]1)C(Cl)(Cl)Cl 587366260 LXYQXNIWYMIKKK-UHFFFAOYSA-N 418.580 2.892 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C 587868647 NWJXOGMDLLLDAD-UHFFFAOYSA-N 410.312 2.726 5 1 HFBF Cc1c2ccccc2nc2c1c1cc(NC(=O)CNC(=N)N)ccc1n2CCN(C)C 653760878 IZNWLSMQYGYLNR-UHFFFAOYSA-N 417.517 2.634 5 1 HFBF O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 13825760 ZBFNVZWXSUBRHO-HSZRJFAPSA-N 409.486 2.974 5 1 HFBF C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276256 JSIYYHOSNPQOJT-RXMQYKEDSA-N 418.582 2.930 5 1 HFBF COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC 587647019 CPAZOUJMXMHKAZ-UHFFFAOYSA-N 421.369 2.897 5 1 HFBF CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(=O)NC)cc2)c([N+](=O)[O-])c1 13765357 ABXCTLZECXQDFH-UHFFFAOYSA-N 421.461 2.750 5 1 HFBF CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 27979307 WNVDHEHSSQPTQA-GDBMZVCRSA-N 405.366 2.551 5 1 HFBF O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2ccc(F)cc2)CC1 96932831 LTFKZOIGZVMOFU-UHFFFAOYSA-N 401.394 2.744 5 1 HFBF O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587203762 TTZSNYGFEUWRPB-CQSZACIVSA-N 402.338 2.532 5 1 HFBF CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)NNC(=O)C1 587091793 OQKCSXAHXPWUIQ-UHFFFAOYSA-N 421.339 2.652 5 1 HFBF COCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] 2483843 SJGUNRWIVQQMFU-UHFFFAOYSA-N 407.423 2.941 5 1 HFBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@H](O)[C@@H](O)CN1C3 68267597 RDIAIABURLOZQQ-LACYOAMESA-N 409.482 2.871 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 587267472 ZVDUHOSREYLFLH-GLEZIHRCSA-N 402.323 2.822 5 1 HFBF O=[N+]([O-])c1ccc(Cn2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 473135508 IWSMADYVJCSUHX-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4noc5ccccc45)CC3)nn2)cc1 653715010 XDJIQBMDFLUCIF-UHFFFAOYSA-N 405.418 2.639 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268221 XQQWCPZBDFUZAB-GFCCVEGCSA-N 406.468 2.664 5 1 HFBF COC(=O)c1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 169331585 BIQXADKZIJYJDC-UHFFFAOYSA-N 416.375 2.558 5 1 HFBF CN(C)CCC(=O)Nc1ccc2c(O)c3ccc(NC(=O)CCN(C)C)cc3nc2c1 101018285 WTOJGOJPEGRUJT-UHFFFAOYSA-N 423.517 2.874 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 587267401 YKSYHEGZUDXLMC-RMLUDKJBSA-N 401.335 2.612 5 1 HFBF CN(C)c1c([N+](=O)[O-])cc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 1857561179 WLYCWJNLWHWBKM-UHFFFAOYSA-N 420.294 2.638 5 1 HFBF CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O 26381489 JCSOOGIZQRVGHC-UHFFFAOYSA-N 407.386 2.589 5 1 HFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587265826 RMPSJYLYXGLXGG-JTQLQIEISA-N 421.207 2.880 5 1 HFBF CCOC(=O)Cn1cnc2c(SCc3cccc([N+](=O)[O-])c3C)nc(O)nc21 3611884 YAVQSMUGMNFURU-UHFFFAOYSA-N 403.420 2.604 5 1 HFBF COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1OC 95591859 NVKDKZUAOGWMTP-WGLAMXGCSA-N 401.371 2.864 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] 586941018 MPEPWFXDSQRGJA-UHFFFAOYSA-N 423.432 2.580 5 1 HFBF Cc1nn(C[C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1[N+](=O)[O-] 962980593 VBHIXCDPCHISFQ-SJKOYZFVSA-N 414.796 2.854 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCO3 587266685 MXERZBPZUWEKJL-PWJLMRLQSA-N 401.335 2.642 5 1 HFBF O=C(COc1ccc([N+](=O)[O-])cc1)NCCNCc1ccc(Br)s1 1857545725 CSQYTIIZOKMEFO-UHFFFAOYSA-N 414.281 2.704 5 1 HFBF Cc1onc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080994 ZDVOXRBCDXGMJK-UHFFFAOYSA-N 404.730 2.636 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)O)c2[nH]1 587267403 YKSYHEGZUDXLMC-XLKFXECMSA-N 401.335 2.612 5 1 HFBF O=C(Cc1ccc(-n2cccn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938237 OIPRLCSRCAPHLG-UHFFFAOYSA-N 419.485 2.710 5 1 HFBF CN1CC[C@]23Cc4nc5ccc([N+](=O)[O-])cc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95558830 UBPBNHPIDOEXKO-WXFUMESZSA-N 417.465 2.877 5 1 HFBF O=C(C[C@@H]1CCCCN1c1ccnc(-n2ccnc2)n1)NCc1ccc([N+](=O)[O-])cc1 35275418 ZZZBJPZLGWDOGF-SFHVURJKSA-N 421.461 2.636 5 1 HFBF O=[N+]([O-])c1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1[N+](=O)[O-] 587092761 XUIIOLNEBFFGJV-UHFFFAOYSA-N 401.217 2.713 5 1 HFBF CN1CCc2cnn(C)c2C12c1c(cccc1[N+](=O)[O-])C(=O)c1cccc([N+](=O)[O-])c12 963953790 DGOCXMFJJAUVJZ-UHFFFAOYSA-N 419.397 2.561 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587269497 CTMGIOYCAZXMKS-INIZCTEOSA-N 417.491 2.792 5 1 HFBF Cc1nn(Cc2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267275 HZPLUSRJJMNASJ-UHFFFAOYSA-N 415.417 2.975 5 1 HFBF Cc1c([N+](=O)[O-])c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1C 587660949 JQJYNYLQYSCRPZ-UHFFFAOYSA-N 407.361 2.841 5 1 HFBF O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNc1ncccc1[N+](=O)[O-] 13641271 RWOCZIYGMWZPLI-UHFFFAOYSA-N 423.451 2.849 5 1 HFBF O=[N+]([O-])c1ccc(OCC(COc2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 2178320097 GZJZAUCCWFZQAD-UHFFFAOYSA-N 403.391 2.662 5 1 HFBF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586947192 YJQCVOJKYSCKKC-CQSZACIVSA-N 416.459 2.904 5 1 HFBF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(=O)O 587389193 JUKJUKMQEPRNKC-HNNXBMFYSA-N 402.359 2.664 5 1 HFBF COc1cc2c(cc1OC)[C@@H](c1nc[nH]c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963157473 RDFXTMCRTNTZHC-IBGZPJMESA-N 423.429 2.705 5 1 HFBF O=C(O)c1cn(C2CC2)c2c(c1=O)C=C(F)C1=NN=C(c3cccc([N+](=O)[O-])c3)CN12 1911571419 PXBQRAUPMBVNCA-UHFFFAOYSA-N 423.360 2.736 5 1 HFBF CC(=O)N1CCN(c2ncc(-c3ncc(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 82174506 QYZGCXQGMCYIIQ-UHFFFAOYSA-N 408.418 2.684 5 1 HFBF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1)C(F)(F)F 13760183 RSACNWQFSLMWSX-OAHLLOKOSA-N 418.349 2.679 5 1 HFBF CN(C)CCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4 26296362 JTBKKEODUUGGJK-UHFFFAOYSA-N 406.398 2.901 5 1 HFBF CN(C)CCCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN(C)C)ccc1c32 26994249 AKRLGOHRGHUBNG-UHFFFAOYSA-N 406.534 2.914 5 1 HFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101448513 WGHUJKZNOQWPTN-USYNBTAQSA-N 403.483 2.596 5 1 HFBF CCOC(=O)Nc1cc(N[C@H](C)C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27194631 WLPOOJXRQOWFNN-SECBINFHSA-N 417.378 2.552 5 1 HFBF O=[N+]([O-])c1cncc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586951597 ZXNFGCOLTUWTEH-UHFFFAOYSA-N 416.463 2.798 5 1 HFBF COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 169322075 WQSGZIBYJVYGGJ-ZJDLJICXSA-N 409.442 2.758 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccn(-c3ccc(C(F)(F)F)cc3)n1)C2 45255901 FXHYMQADHTVTEQ-AWEZNQCLSA-N 409.324 2.974 5 1 HFBF Cc1cccc(-n2nc([N+](=O)[O-])c(=NC3CCN(Cc4ccccc4)CC3)n2O)c1 263592029 ZSEYFLVXUDVIEZ-UHFFFAOYSA-N 408.462 2.693 5 3 HFBF COc1cccc(Cc2cc(C)nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2=O)c1 43122703 FARLKIYYTCONDH-UHFFFAOYSA-N 408.414 2.698 5 1 HFBF CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587270448 YGNMKRSVGWYTCX-UHFFFAOYSA-N 415.475 2.989 5 1 HFBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 587865514 AMKJHNXQJYBMQR-UHFFFAOYSA-N 410.312 2.808 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4cc(Cl)ccc34)CC2)cc1 299829764 VFZULAZHHMAKBS-UHFFFAOYSA-N 422.850 2.900 5 1 HFBF Cc1cc(C(=O)[C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(=O)N2CCCCC2)c(O)n1 1857768588 VIMNUHAKJWQFFJ-MRXNPFEDSA-N 424.413 2.549 5 1 HFBF O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652377 CYMZWUBZNHULND-UHFFFAOYSA-N 409.789 2.891 5 1 HFBF O=[N+]([O-])c1ccc2nc(Nc3cccc(F)c3)nc(NCCOP(=O)(O)O)c2c1 71329391 OEBDFUTXRKVMRO-UHFFFAOYSA-N 423.297 2.942 5 1 HFBF O=[N+]([O-])c1cc(-c2nnn(Cc3cccc(Br)c3)n2)cc([N+](=O)[O-])c1 1772609867 GMOGZLVEIUGFST-UHFFFAOYSA-N 405.168 2.967 5 1 HFBF O=[N+]([O-])c1cncc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586942926 TYZDNALHCNXLKP-UHFFFAOYSA-N 416.246 2.694 5 1 HFBF COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261198 YGJBYPZXEGPQGO-UHFFFAOYSA-N 409.402 2.911 5 1 HFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)cc(Cl)c2[nH]1 587272519 NLUBITOBHQUKBI-KBPBESRZSA-N 411.201 2.811 5 1 HFBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCC(C)(C)N(C)C 82083963 GDMXCZBDJZVASL-GFCCVEGCSA-N 420.491 2.720 5 1 HFBF COc1ccc(CN2C(=O)[C@](O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 96907190 BKLKQXXGFNYIFP-KRWDZBQOSA-N 412.320 2.605 5 3 HFBF COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13757415 RVAVIVFISJENMD-HNNXBMFYSA-N 414.370 2.512 5 1 HFBF C[C@@H](n1cc2ccc([N+](=O)[O-])cc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951824 VLNFTHDQWUQTLP-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF O=C1c2cccc3cc(S(=O)(=O)O)cc(c23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 103254266 ZMIVZWOHULQASH-UHFFFAOYSA-N 412.379 2.791 5 1 HFBF COCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1 82195430 DSNGYDSNFVZPKN-HNNXBMFYSA-N 420.491 2.848 5 1 HFBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586935974 KRTDBJPPOBPDRZ-ZDUSSCGKSA-N 407.477 2.639 5 1 HFBF NC(=O)c1ccc(-c2cc3c(=O)nc(N4CCOCC4)oc3c3ccccc23)cc1 1772621057 NRFZKHXVRDPXJE-UHFFFAOYSA-N 401.422 2.944 5 1 HFBF C[C@@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95660965 QACBWQFEJAKWAM-CXAGYDPISA-N 407.467 2.860 5 1 HFBF Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] 587661113 MRVZIPARNNIBPW-UHFFFAOYSA-N 407.361 2.956 5 1 HFBF Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377386522 ZACUYABEJXXGMP-TUZNVWAKSA-N 408.454 2.665 5 1 HFBF O=C1c2cc3c(cc2OCN1CCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1O3 72173510 NIVXWOWMSGYKKQ-LJQANCHMSA-N 409.398 2.584 5 1 HFBF COC(=O)c1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cn1 587270814 QKYHDVNOIGPSHJ-UHFFFAOYSA-N 409.402 2.673 5 1 HFBF CNC(=O)NCCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12 208452099 LNUCLSXXBIXYJW-UHFFFAOYSA-O 404.494 2.656 5 1 HFBF COc1ccc(OC)c([C@@H]2[C@H]([N+](=O)[O-])[C@@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 169322080 WQSGZIBYJVYGGJ-RJJVWVDVSA-N 409.442 2.758 5 1 HFBF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 473115450 SSXNDCPDWARFKT-FQEVSTJZSA-N 416.433 2.901 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(I)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263220 KRHWGKRKUZQBRN-MIMYLULJSA-N 413.215 2.828 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 377376568 QFLGHJKUQZFHRL-XSEFMFLKSA-N 408.454 2.580 5 1 HFBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1C[C@@H](O)[C@H](O)CN1C3 95553113 RDIAIABURLOZQQ-KGRLDLLASA-N 409.482 2.871 5 1 HFBF O=[N+]([O-])c1ccc(CSc2nnnn2Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 473136440 RLGLDGXMJCYMPS-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587274984 YREPARSLFQVDLI-LBPRGKRZSA-N 406.468 2.550 5 1 HFBF COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)cc1F 66148647 MIKNBPFFPAAGHA-HNNXBMFYSA-N 400.366 2.979 5 1 HFBF COc1cc(CCCC(=O)NC(=N)NCc2ccccc2)c([N+](=O)[O-])cc1OC 299826933 FHUNSESQLPTACB-UHFFFAOYSA-N 400.435 2.775 5 1 HFBF COc1ccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-] 13526430 YVGQBSIVOZYAAI-UHFFFAOYSA-N 400.299 2.912 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273200 FUHNXZMCTZCEOY-LBPRGKRZSA-N 406.468 2.502 5 1 HFBF COC(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2n1 587080157 RZXHYVCFEVSWNC-UHFFFAOYSA-N 417.769 2.514 5 1 HFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@@]1(C)c1ccc(Br)cc1 1857598520 QVGLGCVPTLTNAH-INIZCTEOSA-N 422.239 2.927 5 1 HFBF COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2ccc(S(C)(=O)=O)cc12 587650599 ORVANAXTOKEXPH-UHFFFAOYSA-N 402.384 2.502 5 1 HFBF COc1cnc2c(c1)C(=O)c1c-2n(CCCNC(C)C)c(=O)c2cc([N+](=O)[O-])ccc12 1772656082 XOJIAQZVODHKEX-UHFFFAOYSA-N 422.441 2.913 5 1 HFBF Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F 587136976 MVQGWOJAEQYUBN-UHFFFAOYSA-N 421.454 2.805 5 1 HFBF O=[N+]([O-])c1ccc(Cn2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 473136959 VSDUBXBDVYDSGO-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF C[C@H]1[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206042329 ZNEPUUQDPAOIDH-QBMUGXQSSA-N 421.519 2.833 5 3 HFBF CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1/C(=C/OC)C(=O)OC 238762007 UQZWROIYWUBTCH-ZDFWHOCNSA-N 400.475 2.713 5 1 HFBF O=[N+]([O-])c1ccc(CN2C[C@H](N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1 72134105 OLWOQENKVNMGRX-NRFANRHFSA-N 415.515 2.988 5 3 HFBF C[C@@H](n1ncc2cc([N+](=O)[O-])ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 28951786 KAOLPGZZFGPXOY-CWTRNNRKSA-N 414.372 2.963 5 1 HFBF COc1ccc(OC)c([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)c1 299849886 WQSGZIBYJVYGGJ-RPUPUWCGSA-N 409.442 2.758 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269590 VGKQJBYXVNALSI-UHFFFAOYSA-N 404.452 2.509 5 1 HFBF N[C@@H](CCc1nc2c(Br)ccnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270794 PIIAIZWAUWREBK-LBPRGKRZSA-N 419.239 2.527 5 1 HFBF CCOC(=O)c1cc(Br)c2[nH]c(Cn3c([N+](=O)[O-])cnc3C)nc2c1 587274183 NWCKMXAFMFJUAQ-UHFFFAOYSA-N 408.212 2.964 5 1 HFBF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3ccc([N+](=O)[O-])cc3)n2)n[nH]1 261103679 GYXIFIORIDAIKZ-UHFFFAOYSA-N 410.438 2.704 5 1 HFBF Nc1ccccc1-c1nc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)n[nH]1 1857641121 GVJWVJKYXKDDIA-UHFFFAOYSA-N 410.419 2.569 5 1 HFBF COc1c(N2CCSCC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 29123142 VBJVZENZQIXUBT-UHFFFAOYSA-N 423.422 2.644 5 1 HFBF Nc1ncnc2nc3nc(S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 40430388 HEQOEUGWLJQFOK-UHFFFAOYSA-N 405.487 2.790 5 1 HFBF COCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1 82136021 CWFMFZTXIKZOJM-GJZGRUSLSA-N 413.478 2.910 5 1 HFBF COc1cc(OC[C@@H](COC(C)=O)OC(C)=O)cc2c1c(=O)c1ccccc1n2C 45301032 IRRPMFLGYZYMCW-MRXNPFEDSA-N 413.426 2.574 5 1 HFBF O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)OCCc1ccccn1 82084981 ROJOUSUOSUIXPC-UHFFFAOYSA-N 412.427 2.629 5 1 HFBF COCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1 82135932 ARTAYQRJGNTCNU-UHFFFAOYSA-N 411.418 2.942 5 1 HFBF COc1cc2cc3c(=O)[nH]c(=O)c=3cc3cc4c(cc3c2c(OC)c1OC)OCO4 103228566 UDDMZVUGPOWQJM-UHFFFAOYSA-N 407.378 2.521 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270899 SWOPFIBIAQGMTJ-INIZCTEOSA-N 417.491 2.744 5 1 HFBF Cn1cc(/C=C2\C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)c2cc([N+](=O)[O-])ccc21 1857632750 LWIQJWIQVPZBME-RZBOESAMSA-N 416.430 2.737 5 1 HFBF COc1ccccc1N1CCN(CCn2cnc3c(cnc4ccccc43)c2=O)CC1 72106655 OIWYIIQOPAVNJR-UHFFFAOYSA-N 415.497 2.776 5 1 HFBF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586940757 FIHUPFVBNVVPCV-VOTSOKGWSA-N 417.403 2.778 5 1 HFBF CCOC(=O)Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586919739 FMLVWVVAOGYOBF-UHFFFAOYSA-N 403.416 2.551 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262501 AYYIHUIUYJAUDN-UHFFFAOYSA-N 410.390 2.862 5 1 HFBF CCS(=O)(=O)c1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587266381 VLIFGGQWWPXWRQ-UHFFFAOYSA-N 405.432 2.957 5 1 HFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@H](OC(C)=O)O[C@H]1O4 2356717715 VZHNKMOIUZYDEK-NESZGZOUSA-N 414.366 2.781 5 1 HFBF COc1ccc(-c2c[nH]c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 29130747 LVEYHJMCYFECBW-UHFFFAOYSA-N 401.375 2.775 5 1 HFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2nc(Br)c[nH]c-2n1 587116938 MSRACSVBQPOLQG-UHFFFAOYSA-N 406.122 2.547 5 1 HFBF O=C(O)CCN(CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Cc1ccccc1 587194024 XVIWGWQWYLUOFW-UHFFFAOYSA-N 413.390 2.899 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587267575 AAVMRBYWBXVJST-UHFFFAOYSA-N 420.495 2.870 5 1 HFBF CC(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 169300264 LTAJSQLTORSAHL-NEYJZJCJSA-N 421.446 2.538 5 1 HFBF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN(C)C 82082686 YIZFFFWTCNULIF-MRXNPFEDSA-N 420.491 2.578 5 1 HFBF O=C(c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1)N1CCCC1 101823476 UBZHBZSPWHMJID-RDJZCZTQSA-N 408.458 2.616 5 1 HFBF COc1cccc(C(=O)Oc2cccnc2C(=O)Nc2nccs2)c1[N+](=O)[O-] 13521967 GTCTVMDIYBZXHI-UHFFFAOYSA-N 400.372 2.926 5 1 HFBF O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2ccccc2F)CC1 72106516 HQQRKLWKCKVACI-UHFFFAOYSA-N 403.461 2.906 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587266186 ZBMXPVBQAZFCHM-LLVKDONJSA-N 423.389 2.798 5 1 HFBF Cc1nc2c(O)cc3c4c(=O)n(C)c(=O)n(C)c4n(Cc4ccccc4)c3c2nc1C 6520604 XSXGYJOLRYBIJR-UHFFFAOYSA-N 415.453 2.506 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(I)c3[nH]2)[C@H]1C[N+](=O)[O-] 587261271 AEUVYMVSXLIHOJ-UTLUCORTSA-N 413.215 2.828 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262175 FMQJGMZNINJFBR-MIMYLULJSA-N 419.381 2.517 5 1 HFBF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 587862981 NXBBEPQUBZZJKV-UHFFFAOYSA-N 410.312 2.808 5 1 HFBF CC(C)N(c1cccc(N2CCN(C)CC2)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 58590514 FJDRHCDEBCZDJI-UHFFFAOYSA-N 418.519 2.950 5 1 HFBF CCCC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 72940740 PKHQQGMQVNXUPY-VOZBZGINSA-N 420.443 2.743 5 1 HFBF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101509132 WNVDHEHSSQPTQA-HOCLYGCPSA-N 405.366 2.551 5 1 HFBF Cn1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)cc32)c([N+](=O)[O-])c1 27099609 SVLQYKAFWGRUHJ-UHFFFAOYSA-N 400.366 2.675 5 1 HFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743911 BZXWMTTWNUMBES-VVVCHXIZSA-N 411.227 2.585 5 1 HFBF C[N+](C)([O-])CCNc1ccc2nnn3c4ccc(Br)cc4c(=O)c1c23 101321773 RJCBTCWMRKLWNM-UHFFFAOYSA-N 402.252 2.582 5 1 HFBF COC(=O)[C@@](C(=O)O[C@H]1C[C@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)(c1ccccc1)C1CCCC1 103225839 UFPOHCPPBJXCGI-KVRBJELTSA-N 414.522 2.588 5 1 HFBF O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 1857601487 DLZLKZTWFPTPQV-UHFFFAOYSA-N 404.375 2.771 5 1 HFBF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586931831 LPERVTNIBJCNRN-UHFFFAOYSA-N 410.839 2.954 5 1 HFBF O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 586945873 NCVYVMGTUHBVFM-UHFFFAOYSA-N 405.417 2.666 5 1 HFBF C[C@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C 95661450 QACBWQFEJAKWAM-GUYCJALGSA-N 407.467 2.860 5 1 HFBF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1 587023379 AFFCLFNYXIZBKU-UHFFFAOYSA-N 421.395 3.169 5 1 HFBF CN(C)CCCNC(=O)c1cc2nc3c(cnc4ccc([N+](=O)[O-])cc43)c(O)c2n1C 38512969 ICHBPAFVIXUXIS-UHFFFAOYSA-N 422.445 2.570 5 1 HFBF COc1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 45495776 COBJXRZGVAGZLH-DCINASHKSA-N 413.382 2.522 5 1 HFBF CCCCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084980 CHWYKTUJCMONBJ-UHFFFAOYSA-N 407.448 2.808 5 1 HFBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1ON[N+](=O)N1CCN(c2ccccc2)CC1 377795133 HOBHCBXVNAHRIC-UHFFFAOYSA-N 412.348 2.928 5 1 HFBF COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13757416 RVAVIVFISJENMD-OAHLLOKOSA-N 414.370 2.512 5 1 HFBF CC(=O)n1nc(NC(=O)c2ccccc2)c2c1CN(C(=O)c1cccc([N+](=O)[O-])c1)C2 95580632 PJDSZJCNOFNGMZ-UHFFFAOYSA-N 419.397 2.860 5 1 HFBF CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1 82135705 CTTYUGGUDBFAGR-UHFFFAOYSA-N 411.462 2.761 5 1 HFBF O=[N+]([O-])c1ccc(Cn2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 473116233 VVIKRHUCQUNBSK-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF CC(C)O[C@@H]1C=C([C@H](O)c2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 28656189 OSAYTNVYFSVSRJ-HCXYKTFWSA-N 423.462 2.655 5 1 HFBF CN(CC(=O)NCc1ccco1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82089350 QPZZIQBKCCKGMH-UHFFFAOYSA-N 400.416 2.700 5 1 HFBF CCCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC)C(=O)C[N+](=O)[O-] 299885340 VIIJDXBZKAZABZ-HHXXYDBFSA-N 421.494 2.848 5 1 HFBF O=[N+]([O-])c1ccc(CN2C[C@@H](N3CCC(c4ccccc4)CC3)CS2(=O)=O)cc1 72134104 OLWOQENKVNMGRX-OAQYLSRUSA-N 415.515 2.988 5 3 HFBF C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc2cccnc12 26380108 WKAXMHRUZCQWFT-CYBMUJFWSA-N 415.427 2.807 5 1 HFBF CC1(C)CC(N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 49793083 OHTDXSAFYXPXKY-RTWAWAEBSA-O 402.515 2.920 5 1 HFBF O=c1oc2cc(O)ccc2c2c(O)c(O[C@@H]3c4ccc(O)cc4O[C@H]3CO)ccc12 13461095 FAURSMOHIVWLRP-GHTZIAJQSA-N 408.362 2.936 5 1 HFBF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)nc3)cn1)C2 66258647 ISEVJZOMBGUFEH-LBPRGKRZSA-N 422.323 2.640 5 1 HFBF N[C@@H](CCc1nc2ccnc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269558 FGNUXHTXNDQJOG-NSHDSACASA-N 419.239 2.527 5 1 HFBF Cc1ncc([N+](=O)[O-])n1Cc1nc2c(I)cnc(Cl)c2[nH]1 587273176 FSFMQGRJPQLKTL-UHFFFAOYSA-N 418.582 2.677 5 1 HFBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc([N+](=O)[O-])ccc1OCC(=O)O 963604740 FHKNQVNBFSIJLM-GIPWTMENSA-N 402.403 2.699 5 1 HFBF Cn1ncc([N+](=O)[O-])c1[C@@]1(C)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963181180 NYFDNOASXWBVSN-ABAIWWIYSA-N 418.759 2.863 5 1 HFBF O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 73223065 RICVLHSAWJQPRW-UHFFFAOYSA-N 409.508 2.835 5 1 HFBF O=C1N[C@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@H]1CCCN1C(=O)N2c1ccccc1 45285993 ZXZKEFPPCSYGIH-SJLPKXTDSA-N 405.414 2.629 5 1 HFBF CN1CC[C@]23Cc4nc5cccc([N+](=O)[O-])c5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 95560782 OQBXQLHCDKYFPE-WXFUMESZSA-N 417.465 2.877 5 1 HFBF O=[N+]([O-])c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1[N+](=O)[O-] 586923040 WMQOOZMLATYTMX-UHFFFAOYSA-N 416.415 2.884 5 1 HFBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc([N+](=O)[O-])c(OC)n1 587871247 DJJZPUHJNZEJSO-UHFFFAOYSA-N 403.370 2.932 5 1 HFBF C[C@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O 72106659 XYDMUAPIDBUDKV-OAHLLOKOSA-N 407.180 2.973 5 1 HFBF NS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110199 VUPRNJNNFRXVTK-UHFFFAOYSA-N 400.338 2.728 5 1 HFBF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 15935119 HYTSEYOZMUIHPB-IBGZPJMESA-N 419.441 2.948 5 3 HFBF COc1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 40892397 REODVEDTBFZQNT-IXMGXUHHSA-N 413.382 2.522 5 1 HFBF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101345031 OPUCKZXLLQAVDR-HOCLYGCPSA-N 405.366 2.551 5 1 HFBF NS(=O)(=O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109485 LNSKRADJELCDDS-UHFFFAOYSA-N 400.338 2.728 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 587264888 AHBCSZXODOMFPT-VVVCHXIZSA-N 415.362 2.685 5 1 HFBF CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3c21 40951807 IPRVUIRCLYVDST-UHFFFAOYSA-N 409.377 2.972 5 1 HFBF O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946482 YQQRIJJJUGVESB-UHFFFAOYSA-N 405.417 2.666 5 1 HFBF COC(=O)c1cccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12 587262872 GBZPYRNCYNDEQI-UHFFFAOYSA-N 423.429 2.741 5 1 HFBF O=C(CN1CCOCC1)Nc1ccc(Nc2cc(=O)oc3ccc([N+](=O)[O-])cc23)cc1 1857561304 GQCUFGKLBXOMFX-UHFFFAOYSA-N 424.413 2.716 5 1 HFBF CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])C1 5843409 BVGNKCVKOCTQQH-NSHDSACASA-N 418.425 2.518 5 1 HFBF Cn1c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)ccc1CN1CCCCC1=O 53255600 VMRYJMORZVVRDX-UHFFFAOYSA-N 411.506 2.768 5 1 HFBF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586940756 FIHUPFVBNVVPCV-SREVYHEPSA-N 417.403 2.778 5 1 HFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(I)cnc(Cl)c2[nH]1 587274755 LPJBLFYHTDDKBF-UHFFFAOYSA-N 404.555 2.525 5 1 HFBF COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)nn2)cc1[N+](=O)[O-] 58590804 OUNSHYUJPWHTPW-UHFFFAOYSA-N 400.391 2.936 5 1 HFBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1ccco1 82083042 GTRDFMISXOHXON-LLVKDONJSA-N 400.416 2.746 5 1 HFBF N[C@@H](CCc1nc2cncc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270905 TZEBYGQFUCFBQY-LBPRGKRZSA-N 419.239 2.527 5 1 HFBF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 587260590 VGIUQPPAMYQZBN-LSJOCFKGSA-N 424.251 2.773 5 1 HFBF O=[N+]([O-])c1cnc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 586942033 GDMALHDEEASDMD-UHFFFAOYSA-N 416.246 2.694 5 1 HFBF C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O 13560167 NBTWKPSAPGBCCD-KRWDZBQOSA-N 414.506 2.815 5 1 HFBF CC1(Cc2cc3c(cc2C2(c4ccc([N+](=O)[O-])cc4)OCCO2)OCO3)OCCO1 1663111 MHSDUEGZXLXRDG-UHFFFAOYSA-N 415.398 2.877 5 1 HFBF CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)c1 96921170 RRLFTKGMBVMQPI-UHFFFAOYSA-N 421.431 2.576 5 1 HFBF COc1cccc(Nc2nccnc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 299821396 JXVSCEJSBZGICM-UHFFFAOYSA-N 401.404 2.938 5 1 HFBF Cc1c2ccn([C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377857512 ZACUYABEJXXGMP-DWSDBCHFSA-N 408.454 2.665 5 1 HFBF COc1ccc2c(c1)CN(Cc1cnc(N)nc1N)C[C@@H]2c1cccc([N+](=O)[O-])c1 13520528 SZNFKQXJHREVCC-LJQANCHMSA-N 406.446 2.706 5 1 HFBF O=c1c2cnc3ccccc3c2ncn1CCN1CCN(c2ccc(F)cc2)CC1 72107319 HKCWHAZXKWMFIO-UHFFFAOYSA-N 403.461 2.906 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4cccc(Cl)c34)CC2)cc1 299828529 RNFDHUYOJMURFM-UHFFFAOYSA-N 422.850 2.900 5 1 HFBF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1n[nH]c(-c2ccccc2F)n1 587945535 KTLYDMJXWJOCTM-UHFFFAOYSA-N 413.369 2.599 5 1 HFBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743716 BGHWPKWAXRPLJI-VVVCHXIZSA-N 411.227 2.585 5 1 HFBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCCOCCO 2483912 PWZFCGAYXCGRSG-UHFFFAOYSA-N 411.842 2.939 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)nc3)ncn1)C2 72126094 XYRAPRPTDPVURF-JTQLQIEISA-N 408.296 2.502 5 1 HFBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(N2CCOCC2)cc1 587649100 PWQUZAAXVZHZTC-UHFFFAOYSA-N 409.398 2.930 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)CCc3ccccc3)CC2)cc1 45351051 KFYCIOOTRZJUHT-UHFFFAOYSA-N 419.528 2.861 5 1 HFBF COc1cc2c(cc1OC)[C@H](c1nc[nH]c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2 963157474 RDFXTMCRTNTZHC-LJQANCHMSA-N 423.429 2.705 5 1 HFBF COc1cc(N2C(=O)CN(Cc3ccc(F)cc3[N+](=O)[O-])C2=S)ccc1N(C)C 1857763269 FRCJQIATFFTUMK-UHFFFAOYSA-N 418.450 2.942 5 1 HFBF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 26500685 HYCMHTKQSGQIDR-SFHVURJKSA-N 409.398 2.549 5 1 HFBF O=c1[nH]nc2c3cc(CN4CCN(c5ncccn5)CC4)ccc3oc3cccc1c32 38308928 CSHNTDMZZIAXST-UHFFFAOYSA-N 412.453 2.935 5 1 HFBF C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2cccnc12 27557806 WUJFLXKTMXBXOL-CYBMUJFWSA-N 415.427 2.807 5 1 HFBF Cn1cc(/C=C2/C[C@](CO)(COC(=O)C(C)(C)C)OC2=O)c2cc([N+](=O)[O-])ccc21 1857636393 LWIQJWIQVPZBME-NIEFLNLKSA-N 416.430 2.737 5 1 HFBF O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc([S@@](=O)c2ncccn2)cc1 35933055 JHLQXUBKYWQXPW-LJAQVGFWSA-N 411.399 2.513 5 1 HFBF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101345033 OPUCKZXLLQAVDR-GOEBONIOSA-N 405.366 2.551 5 1 HFBF Cc1cc(C(=O)[C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C(=O)N2CCCCC2)c(O)n1 1857768587 VIMNUHAKJWQFFJ-INIZCTEOSA-N 424.413 2.549 5 1 HFBF Cc1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1[N+](=O)[O-] 586947435 YJHOEYNLLXJXRW-AWEZNQCLSA-N 416.459 2.904 5 1 HFBF Cn1cc([N+](=O)[O-])c([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962926078 LFNSKRKIRCWHFW-UWJYYQICSA-N 424.413 2.689 5 1 HFBF CNC(=O)OCc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3sc12 5549840 NDHDQZPEOVXBES-UHFFFAOYSA-N 401.488 2.950 5 1 HFBF O=c1ccc2nc3ccccc3n3c-2c1[C@H]1c2nc4c(O)cccc4nc2C[C@@H]3[C@@H]1O 1772585829 AHGUKZLDQLNILP-NKNQFRNOSA-N 408.417 2.754 5 1 HFBF O=c1oc2cc(O)ccc2c2c(O)c(O[C@H]3c4ccc(O)cc4O[C@@H]3CO)ccc12 13461093 FAURSMOHIVWLRP-NQIIRXRSSA-N 408.362 2.936 5 1 HFBF biogenic CC[C@@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@H]1/C(=C\OC)C(=O)OC 238759082 UQZWROIYWUBTCH-MOBSCEQFSA-N 400.475 2.713 5 1 HFBF CC(C)O[C@@H]1C=C([C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 28656199 FUWNCMLYDAHGBS-HCXYKTFWSA-N 423.462 2.655 5 1 HFBF O=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)[C@](O)(c1ccccc1)C1CCC1 13825802 YCYUPHLMTJRTDF-DEOSSOPVSA-N 423.513 2.969 5 1 HFBF NS(=O)(=O)Cc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 586930564 SFCGHKBFWXVMDU-UHFFFAOYSA-N 411.237 2.689 5 1 HFBF C[C@H]1C[C@@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] 962731712 TVUMLFMYROZNRP-XQKNVLJRSA-N 414.380 2.551 5 1 HFBF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc([N+](=O)[O-])cc1)(C1CCNCC1)NCC2 962935144 YUWRTYNALGTSJC-HSZRJFAPSA-N 408.502 2.686 5 1 HFBF Cc1c2ccn([C@@H]3O[C@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377386524 ZACUYABEJXXGMP-XEJRSTSVSA-N 408.454 2.665 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586924626 DFTOHDWIQFKKPV-CQSZACIVSA-N 409.811 2.919 5 1 HFBF O=[N+]([O-])c1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 169331579 YQYRPJBINFGUTH-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1Cl 586927081 SMPGOINMMYCEPR-UHFFFAOYSA-N 417.881 2.562 5 1 HFBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587264472 SIKHJWVOAQSTOV-POZPLHJXSA-N 410.224 2.684 5 1 HFBF NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc([N+](=O)[O-])cc2)S1 72184138 QREVQSIRHXVUTK-HNNXBMFYSA-N 415.456 2.655 5 1 HFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743721 BGHWPKWAXRPLJI-XYZCENFISA-N 411.227 2.585 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)nn1)C2 66251519 QWZCKUYBEIGOTF-AWEZNQCLSA-N 419.344 2.828 5 1 HFBF COc1ccccc1N1CCN(C(=O)CCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 96932828 NXSXWNJZRWXWLJ-UHFFFAOYSA-N 413.430 2.614 5 1 HFBF O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1cccc2c(=O)c3ccccc3[nH]c12 473112590 FLSIBSCTDPQTBI-IBGZPJMESA-N 402.406 2.813 5 1 HFBF O=[N+]([O-])c1cccc(/C=C2\CNCC3=C2NC(=S)N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 101679949 YEYOXPXQVOZCGZ-GAVDFCLNSA-N 423.454 2.963 5 1 HFBF COCCOc1ccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1[N+](=O)[O-] 587266480 YMSWJGBFRNOKQR-UHFFFAOYSA-N 401.375 2.959 5 1 HFBF CSCC[C@H](NC(=O)c1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1)C(=O)O 26151552 YCXKSCNLEBOOHM-SFHVURJKSA-N 417.487 2.821 5 1 HFBF COC(=O)c1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cn1 587079811 OEKWLIWZDDKANA-UHFFFAOYSA-N 417.769 2.514 5 1 HFBF C[C@@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4o3)CC2)O1 1857559121 NCYDDCKELYVOJL-SECBINFHSA-N 415.324 2.847 5 1 HFBF CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2cccs2)c1=N 1857603321 LYHFPWHDVICYGV-UHFFFAOYSA-N 408.483 2.918 5 1 HFBF CN1CCN(c2ccc(-c3nnc(NC(=O)C(C)(C)C)s3)cc2[N+](=O)[O-])CC1 103231238 RVUIXZBGHVGDOK-UHFFFAOYSA-N 404.496 2.850 5 1 HFBF CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1cccnc1 586929509 WWJRYLDOBSIXQX-UHFFFAOYSA-N 404.455 2.875 5 1 HFBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(C(F)(F)F)cc2[nH]1 587273459 UUPFKQJCNAXGAC-KBPBESRZSA-N 410.308 2.523 5 1 HFBF O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)o1 653798403 MEKSKVQMRVFZPU-UHFFFAOYSA-N 419.381 2.713 5 1 HFBF COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 138158062 ZJTLILRDXKTIJJ-NHCUHLMSSA-N 406.438 2.814 5 1 HFBF COc1cc(Br)c([C@H](N)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC 586976666 WVCQOIRGAVWLDP-ZDUSSCGKSA-N 408.212 2.694 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4ccc(C(=O)O)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263572 UWJXJMRSNPHZPV-UHFFFAOYSA-N 409.402 2.652 5 1 HFBF NCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 40973414 UYKIRWOHSXVVPA-TZIWHRDSSA-N 409.527 2.965 5 1 HFBF CC(C)NC(=O)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 82192139 JEECAJPOJHLFMT-HNNXBMFYSA-N 400.464 2.989 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263419 UBKKUEBJRSYWMP-GOSISDBHSA-N 423.433 2.678 5 1 HFBF N[C@@H](CCc1nc2ccc(Br)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270089 JZECWLBZBSNCDI-NSHDSACASA-N 419.239 2.527 5 1 HFBF COc1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 45495773 COBJXRZGVAGZLH-IGEMGIOYSA-N 413.382 2.522 5 1 HFBF NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc([N+](=O)[O-])cc2)S1 72184137 QREVQSIRHXVUTK-OAHLLOKOSA-N 415.456 2.655 5 1 HFBF C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](C(=O)OC3CCCCC3)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 103228789 SZZOHVTYEBTUAC-MCSHHISBSA-N 414.522 2.946 5 1 HFBF CC(C)OC(=O)[C@H]1C[C@](C)(O)C(=O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 13136537 DFQLPYSPKQLGGU-DLRJPAPCSA-N 421.446 2.538 5 1 HFBF O=[N+]([O-])c1cccc(/C=C2\CNCC3=C2NC(=S)N[C@H]3c2cccc([N+](=O)[O-])c2)c1 101679952 YEYOXPXQVOZCGZ-XPUDNMOSSA-N 423.454 2.963 5 1 HFBF CO[C@H]1CO[C@@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@H](O)[C@H]1O 377805967 FMMABGZVEFXYEP-XSEFMFLKSA-N 408.454 2.931 5 1 HFBF O=C1Nc2ccccc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1Cl 1857589766 PGNOFLBFSMQMHO-HDAAZOAOSA-N 423.860 2.854 5 1 HFBF O=C1c2ccc(Br)cc2S(=O)(=O)N1CCc1cccc([N+](=O)[O-])c1 1911580499 MEWQUVWLVUORSL-UHFFFAOYSA-N 411.233 2.745 5 1 HFBF C[P@](=O)(O)[C@H](NCc1ccccc1)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12 13440543 FZJVQWMHVKPDJP-KRWDZBQOSA-N 404.319 2.638 5 1 HFBF O=C(Cn1ccc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657435 WUKILIDNOYGWEF-UHFFFAOYSA-N 411.324 2.787 5 1 HFBF CCOC(=O)C1=C(C)N2CCCO[C@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 1635019 VYJIGLZLCDRKOF-DBXWQHBBSA-N 418.446 2.757 5 1 HFBF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2cnn3ccc(Cl)nc23)n1 473125601 RIXVIJBWVAOGAZ-UHFFFAOYSA-N 418.822 2.700 5 1 HFBF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C[C@@H](OC(C)=O)O[C@H]1O4 2356717717 VZHNKMOIUZYDEK-OZFCOTRISA-N 414.366 2.781 5 1 HFBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)nc1C(F)(F)F 587117413 CZQKKNOFUMMJPV-UHFFFAOYSA-N 421.295 2.603 5 1 HFBF C[C@@]1(c2ccc(Br)nc2)OC(=O)N(Nc2ccc([N+](=O)[O-])cc2)C1=O 72106658 XYDMUAPIDBUDKV-HNNXBMFYSA-N 407.180 2.973 5 1 HFBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C 82082481 CXEQCQBGTUNDEB-INIZCTEOSA-N 420.491 2.578 5 1 HFBF CNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 71281868 MQQXLGNZZWZBGV-UHFFFAOYSA-N 413.463 2.578 5 1 HFBF CN(C)CCCCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085771 FHDXUNCXVACDBW-UHFFFAOYSA-N 420.491 2.675 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262478 AIPLPICDSDQOJU-UHFFFAOYSA-N 421.417 2.536 5 1 HFBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 587267283 WJVMSBNKXLJMTQ-FVMDXXJSSA-N 415.362 2.700 5 1 HFBF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1nn(C)cc1[N+](=O)[O-])CC2=O 587472072 XITXPEGUQCVNEG-SQUSKLHYSA-N 400.435 2.922 5 1 HFBF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ncc([N+](=O)[O-])cc1Br)NCC2 962929171 HDOFCUPXFILDNG-SFHVURJKSA-N 419.279 2.863 5 1 HFBF CC1(C)CC(N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)=CC(=[N+]2CCCCC2)C1 49793081 OHTDXSAFYXPXKY-NHCUHLMSSA-O 402.515 2.920 5 1 HFBF COc1ccc2[nH]c3c(c(C)c4c(NCCCNCCCN)nccc4[n+]3C)c2c1 28878614 UKSXCRFTQATFJQ-UHFFFAOYSA-O 407.542 2.751 5 1 HFBF O=C(O)c1ccc2oc3ccc(OC[C@H](O)COCC(F)(F)F)cc3c(=O)c2c1 169321993 GJKCOOKXIWAECG-LLVKDONJSA-N 412.316 2.963 5 1 HFBF O=[N+]([O-])c1ccc2nc(NCc3ccccc3)nc(NCCOP(=O)(O)O)c2c1 71329725 XKWBJNNPXYYTAV-UHFFFAOYSA-N 419.334 2.671 5 1 HFBF O=C1NC2=C(CNC/C2=C\c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)N1 96270597 JAKNUHQZRLDCRU-XPUDNMOSSA-N 407.386 2.798 5 1 HFBF CC[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)n1cc(I)c(C)n1 587185119 QETZWEVJULXLBF-LLVKDONJSA-N 412.191 2.975 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 587264889 AHBCSZXODOMFPT-XLFHBGCDSA-N 415.362 2.685 5 1 HFBF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(F)(F)F 13760189 RABWTLRTPNLWDQ-OAHLLOKOSA-N 418.349 2.679 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587266928 CNRCDSKASHTSJK-GFCCVEGCSA-N 406.468 2.616 5 1 HFBF O=C(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ncc([N+](=O)[O-])s1 653916364 HZTGCZQWVVGFOT-UHFFFAOYSA-N 415.397 2.831 5 1 HFBF COc1ccc([C@@H]2[C@H](OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 26169129 YVNFPUSFYFOKAN-MJGOQNOKSA-N 418.402 2.732 5 1 HFBF COc1cc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)O2)cc(OC)c1OC 45245871 HSEAEGLUDIAIJV-IBGZPJMESA-N 401.375 2.860 5 1 HFBF O=C(Cc1ccc(-c2ncon2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 96938242 QLTRSTYOLXAELV-UHFFFAOYSA-N 421.457 2.574 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(F)c(F)cc3[nH]2)cc1[N+](=O)[O-] 586940869 IQLOOVMWAPYSNI-UHFFFAOYSA-N 414.415 2.950 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCCO)cc3)cc1)C2 45320523 MNAVIKABFCOSPW-IBGZPJMESA-N 411.414 2.807 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 377841760 DIPPXSJGIDURDU-GYIQIQDTSA-N 422.481 2.968 5 1 HFBF C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1)C(F)(F)F 13760184 RSACNWQFSLMWSX-HNNXBMFYSA-N 418.349 2.679 5 1 HFBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)C(Cl)(Cl)Cl 13839996 YAHFPZRNVXPGHX-ZETCQYMHSA-N 405.643 2.527 5 1 HFBF COc1cc(CC(=O)NC(=N)NCc2ccccc2Cl)c([N+](=O)[O-])cc1OC 299827805 IAFNAOLFUJQPAB-UHFFFAOYSA-N 406.826 2.649 5 1 HFBF O=[N+]([O-])c1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587126745 GDZDTFUVGSWXNE-UHFFFAOYSA-N 417.281 2.735 5 1 HFBF COc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)CN(C)C)C(C)(C)O2 28705862 XDXMTOPQNNEQDS-GOSISDBHSA-N 410.470 2.715 5 1 HFBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(O)CO)O2 40423513 PQZZHBPIPUNSHS-HYBUGGRVSA-N 405.450 2.900 5 1 HFBF COc1cc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn(C(C)=O)c2=O)cc(OC)c1OC 29130265 VTXHFYVAIDOTDV-UHFFFAOYSA-N 413.386 2.900 5 1 HFBF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1ccncc1[N+](=O)[O-] 963156223 ZIJLQXLOVMSQJD-KZULUSFZSA-N 420.447 2.956 5 1 HFBF O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 253667999 WGHUJKZNOQWPTN-CWCCVVRESA-N 403.483 2.596 5 1 HFBF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)cc1 586954183 BXMGTXPIRQHXPO-UHFFFAOYSA-N 401.448 2.743 5 1 HFBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743909 BZXWMTTWNUMBES-HUTHGQBESA-N 411.227 2.585 5 1 HFBF CCOC(=O)C1=C(C)N2CCCO[C@]2(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 299814893 VYJIGLZLCDRKOF-WAOWUJCRSA-N 418.446 2.757 5 1 HFBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587117760 LCHXLUIOGKGMOJ-UHFFFAOYSA-N 423.399 2.795 5 1 HFBF CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1ncc2ccc(Cl)cc2c1=O 587653169 RBNVVZMQUJLKBS-LZYBPNLTSA-N 412.789 2.776 5 1 HFBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12 586946652 NVZTVNUJGUUPQA-CYBMUJFWSA-N 402.432 2.595 5 1 HFBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587269297 AFSUMYNDXOQARM-HNNXBMFYSA-N 405.418 2.773 5 1 HFBF O=c1cc(CN2CCCCC2)nc2ccc3c(O)cc(CN4CCCCC4)nc3n12 1651026 PIOJQZZUMQBJEO-UHFFFAOYSA-N 407.518 2.920 5 1 HFBF COc1ccc(-[n+]2noc(O)c2CNc2nc3cc([N+](=O)[O-])ccc3s2)cc1 98085410 YZVKAHOULFNAKJ-UHFFFAOYSA-O 400.396 2.796 5 1 HFBF CCc1ccccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 169337588 DAHKEOSNCIHHPG-CYBMUJFWSA-N 401.371 2.788 5 1 HFBF CCOc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 473152874 WLTWEMBDAMLNHS-UHFFFAOYSA-N 404.814 2.773 5 1 HFBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC=O)[C@@H](OC=O)C(C)(C)O2 43078684 WUWOXUAEMCWXNM-NHCUHLMSSA-N 411.410 2.627 5 1 HFBF COc1cc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc(OC)c1OC 45253034 SPKDIOSZEMOVSE-IBGZPJMESA-N 401.375 2.860 5 1 HFBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 29487180 ZWLHKSIANLMYEK-UHFFFAOYSA-N 400.457 2.914 5 1 HFBF O=[N+]([O-])c1ccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 169331582 FKDOBJZOIHERRM-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586936858 NXAKRFSJIRAFMQ-LBPRGKRZSA-N 407.477 2.639 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(I)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261270 AEUVYMVSXLIHOJ-OPRDCNLKSA-N 413.215 2.828 5 1 HFBF CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)o1 586932164 VEQTWKMZJKVOCK-UHFFFAOYSA-N 415.225 2.744 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587264985 QYMIGADMOWNIBK-NZFNHWASSA-N 420.313 2.961 5 1 HFBF O=C(COc1ccc(-c2ccc(F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 82157192 BRYRZQHQIYFFHX-INIZCTEOSA-N 412.377 2.554 5 1 HFBF CN1CCN(c2nn3c(=O)c4cc(Br)ccc4nc3c3ccccc23)CC1 1772638457 PQEMQDORHGYZJV-UHFFFAOYSA-N 424.302 2.910 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)ncc3[nH]2)cc1[N+](=O)[O-] 586941657 UQTNFOFNCVFPMS-UHFFFAOYSA-N 413.868 2.720 5 1 HFBF COc1cc2nc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)c(=O)n(C)c2cc1OC 587280147 LHPIPZUAJHJJTC-UHFFFAOYSA-N 409.354 2.836 5 1 HFBF O=[N+]([O-])c1cnc2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 586950391 FZZNMERZRKAOIQ-UHFFFAOYSA-N 416.463 2.798 5 1 HFBF CCCCOCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084931 IIMRJAGLPOIZBP-UHFFFAOYSA-N 407.448 2.808 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1 377376567 QFLGHJKUQZFHRL-OUFMZXHOSA-N 408.454 2.580 5 1 HFBF Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(O)c3ccccc3C1=N2 103521809 FSTGDOHAOBLQKP-OAHLLOKOSA-N 416.393 2.541 5 1 HFBF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCOC)[C@H]1c1cccc([N+](=O)[O-])c1 137726989 HYOVUNOASVUIDZ-AEFFLSMTSA-N 404.419 2.796 5 1 HFBF O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Br)N2 6718564 YKEVWJLHADDVBF-UHFFFAOYSA-N 413.209 2.645 5 1 HFBF N[C@@H](CCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269387 BPZUAFGFSWJBCG-VIFPVBQESA-N 411.315 2.926 5 1 HFBF Cc1ncc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)nc1Br 587939140 APOMJBOMUGBOHW-UHFFFAOYSA-N 423.227 2.536 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C[N+](=O)[O-] 587261361 BMUUGMHHLXAWFO-SZEHBUNVSA-N 411.212 2.894 5 1 HFBF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 962637471 MCONXZBUPUFETP-BMIGLBTASA-N 422.319 2.829 5 1 HFBF O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 82193459 RJEDFURNPXWWSY-RDJZCZTQSA-N 402.476 2.982 5 1 HFBF CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2cccc(F)c2)CC1 169341079 AOIAWUPKNAMPAV-UHFFFAOYSA-N 411.437 2.571 5 1 HFBF CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 775690 HOFPKTGEQICCCH-JTQLQIEISA-N 405.407 2.777 5 1 HFBF CN(C)S(=O)(=O)c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)o1 586931666 ILDAKKCSAXDXCV-UHFFFAOYSA-N 415.225 2.744 5 1 HFBF NC1=N[C@H](c2ccc([N+](=O)[O-])cc2)NC(NCCCOc2ccc(Cl)cc2)=N1 71295860 ZJQIOTIGCMABLE-INIZCTEOSA-N 402.842 2.579 5 1 HFBF COC(=O)c1c[nH]c2ccc(NC(=O)CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc12 95575747 DEUTWOAVIYWMIT-UHFFFAOYSA-N 411.374 2.623 5 1 HFBF Cc1ccc([C@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 64553124 SQXNPLNBYUXBBY-LJQANCHMSA-N 411.443 2.558 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 587266191 ZBMXPVBQAZFCHM-NSHDSACASA-N 423.389 2.798 5 1 HFBF CS(=O)(=O)Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 653861044 GXYMVZKFDJCFDJ-UHFFFAOYSA-N 408.417 2.935 5 1 HFBF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 299859886 ZAUUTSFQZUXSBI-OAQYLSRUSA-N 423.469 2.940 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 377857498 DIPPXSJGIDURDU-JNRZULHCSA-N 422.481 2.968 5 1 HFBF N[C@H](Cc1ccc(I)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 587186547 XPSOXTXMHURCPJ-SNVBAGLBSA-N 409.187 2.713 5 1 HFBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262173 FMQJGMZNINJFBR-FBIMIBRVSA-N 419.381 2.517 5 1 HFBF O=C1NC(/C=C/c2ccc([N+](=O)[O-])cc2)=C(C(=O)O)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 103187837 PGOIPIONOHZIPO-DFIVBLOKSA-N 410.342 2.909 5 1 HFBF Oc1ncnc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCOCC4)cc3)c12 40938661 VQRCAVCSVDJERN-UHFFFAOYSA-N 408.443 2.545 5 1 HFBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C 82083661 ULNZGOHHKWVWQM-GFCCVEGCSA-N 420.491 2.720 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 377376565 QFLGHJKUQZFHRL-FDTGPBLFSA-N 408.454 2.580 5 1 HFBF CCOC(=O)Nc1cc(N[C@@H](C)C(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 27194624 WLPOOJXRQOWFNN-VIFPVBQESA-N 417.378 2.552 5 1 HFBF O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(Cl)c4ccccc4c3c2)[C@H]1C(=O)O 82152406 IZUWZAUWGBOBHK-ZWKOTPCHSA-N 412.829 2.598 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 587868028 IEYCMULEBGGOKR-UHFFFAOYSA-N 416.703 2.946 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([C@H](N)N=O)cc2[nH]1 587266179 JGALQZQSVOOPTP-CYACUBOYSA-N 415.366 2.637 5 1 HFBF C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587276257 JSIYYHOSNPQOJT-YFKPBYRVSA-N 418.582 2.930 5 1 HFBF NCCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] 36383456 UXHAVYYZKFERMW-UHFFFAOYSA-N 424.244 2.652 5 3 HFBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587270003 UWCMJPAIZLIVGT-UHFFFAOYSA-N 420.385 2.922 5 1 HFBF CNc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12 82131230 PVTOKDAVLXVPNP-UHFFFAOYSA-N 424.461 2.924 5 1 HFBF O=c1oc2cc(O)ccc2c2c(O)c(O[C@H]3c4ccc(O)cc4O[C@H]3CO)ccc12 13461097 FAURSMOHIVWLRP-RXVVDRJESA-N 408.362 2.936 5 1 HFBF biogenic Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Oc3cccc([N+](=O)[O-])c3)n2)n[nH]1 261110785 HZKIIUFULFKKEU-UHFFFAOYSA-N 410.438 2.704 5 1 HFBF CC(C)OC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 13154460 AQIDWBRXCNUVNG-NTLWEQJWSA-N 421.446 2.538 5 1 HFBF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 15935118 HYTSEYOZMUIHPB-LJQANCHMSA-N 419.441 2.948 5 3 HFBF COc1cc(OC)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587265006 BMPQWTHRQPANAF-FVMDXXJSSA-N 417.378 2.931 5 1 HFBF CCN(CC)CCN(C)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-] 20739557 HBENUUNTQSRYDY-CALCHBBNSA-N 400.479 2.828 5 3 HFBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587266065 UZRIYLYNYOEUGO-LURJTMIESA-N 402.720 2.833 5 1 HFBF O=[N+]([O-])c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 586942911 RBVVGJFMBMTPDJ-UHFFFAOYSA-N 417.266 2.774 5 1 HFBF Cc1nn(C[C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1[N+](=O)[O-] 962980595 VBHIXCDPCHISFQ-YVEFUNNKSA-N 414.796 2.854 5 1 HFBF O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587203761 TTZSNYGFEUWRPB-AWEZNQCLSA-N 402.338 2.532 5 1 HFBF COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1OC 587267161 VAEIXGWVPQUZQV-VVVCHXIZSA-N 417.378 2.931 5 1 HFBF Nc1ncc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 587119060 UYWKQTLQTZWYLN-UHFFFAOYSA-N 404.312 2.774 5 1 HFBF COC(=O)c1cccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12 587266678 MWUUJLPOAPCDIQ-BJOHPYRUSA-N 415.362 2.700 5 1 HFBF CC[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(C)nn23)[C@H]2CC[C@@H]1C2 40158672 ZYPSJPLZINNVOK-QZNHQWIBSA-N 423.542 2.979 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 587266852 POVSZQFUYLEYIR-ANRSDYALSA-N 401.335 2.612 5 1 HFBF O=C([C@@H]1COC(c2nc3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)=N1)N1CCCC1 653785028 WVVNCJKZXNGUEA-JTQLQIEISA-N 414.365 2.991 5 1 HFBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)[C@@H](C2)C3=O 587434431 VFJWLDFQMSFLNO-JTSKRJEESA-N 409.442 2.844 5 1 HFBF Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N5CCC5)cc4c(=O)c3c2)cn1 72110805 LZIMGNJOIGBJMI-UHFFFAOYSA-N 421.482 2.511 5 1 HFBF CSc1ccc(S(=O)(=O)NCc2nc3ccc(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 586940915 KGBKCZUMNFMDRT-UHFFFAOYSA-N 414.415 2.950 5 1 HFBF O=[N+]([O-])c1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1[N+](=O)[O-] 587009017 RKIAYCIETBQWDF-UHFFFAOYSA-N 404.140 2.852 5 1 HFBF O=C(NCCO)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 2483166 PQEHLAPUOSJNCS-UHFFFAOYSA-N 415.333 2.507 5 1 HFBF Cc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163656 PGQAYCZGBGUOFK-CQSZACIVSA-N 408.418 2.717 5 1 HFBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586927000 RRIRSHPXONKJPT-UHFFFAOYSA-N 409.807 2.982 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1 587868197 HTSJQGSJTXKYTF-VIFPVBQESA-N 410.312 2.979 5 1 HFBF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])n2)c(OC)c1 169338532 UVTZALKXPIMKRD-BQYQJAHWSA-N 424.431 2.610 5 1 HFBF Cc1c2ccn([C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12 377853801 ZACUYABEJXXGMP-KESIKLHXSA-N 408.454 2.665 5 1 HFBF CCS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587092060 RBDOHVRVKKKMMP-UHFFFAOYSA-N 403.342 2.691 5 1 HFBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587272911 BHHZVYUEZNYAJH-MRVPVSSYSA-N 403.342 2.765 5 1 HFBF CCS(=O)(=O)c1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1 587264785 JWALGULLBUJINQ-UHFFFAOYSA-N 404.448 2.990 5 1 HFBF CC(=O)N1N=C(Cn2c([N+](=O)[O-])cnc2C)O[C@]1(C)c1ccc(Br)cc1 1857598521 QVGLGCVPTLTNAH-MRXNPFEDSA-N 422.239 2.927 5 1 HFBF C[C@@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)c1)C(F)(F)F 13760185 CZYLYKKQZQKEQV-OAHLLOKOSA-N 418.349 2.679 5 1 HFBF C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc2cccnc12 13840055 WUJFLXKTMXBXOL-ZDUSSCGKSA-N 415.427 2.807 5 1 HFBF COc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 586940771 FSMJDXCLKQKVRN-UHFFFAOYSA-N 408.461 2.680 5 1 HFBF COc1cc(-c2nnc(SCCn3c([N+](=O)[O-])cnc3C)o2)cc(OC)c1OC 95601555 CPYYJCKKTUTGNF-UHFFFAOYSA-N 421.435 2.968 5 1 HFBF N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 587185935 PGMCEAKGLPJSJJ-NSHDSACASA-N 409.187 2.713 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OCCO)c3)cc1)C2 45319505 PTBXBNDNSFJUHV-IBGZPJMESA-N 411.414 2.807 5 1 HFBF O=[N+]([O-])c1ccc(Cn2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 473135796 LCMKDDUEGYLBNA-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF O=C(O)C1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 96910805 QASWUALMVLTDHA-UHFFFAOYSA-N 403.338 2.885 5 1 HFBF CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCOC)[C@@H]1c1cccc([N+](=O)[O-])c1 137726816 HYOVUNOASVUIDZ-SJLPKXTDSA-N 404.419 2.796 5 1 HFBF Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)cnc(Br)c2[nH]1 587274371 KCEBSOYMQKTRPU-UHFFFAOYSA-N 402.006 2.792 5 1 HFBF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174548 GTGKSJOSSYHMDL-AWEZNQCLSA-N 408.418 2.717 5 1 HFBF O=C(CSc1n[nH]c(-c2ccccc2O)n1)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1 1857639654 BYNRPJIYASPLDA-UHFFFAOYSA-N 411.403 2.693 5 1 HFBF O=[N+]([O-])c1cccc(OCC(COc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1 2178320241 RNAFOCOUMOQELJ-UHFFFAOYSA-N 403.391 2.662 5 1 HFBF Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979935 KXMJIBDWRCSDPH-UHFFFAOYSA-N 411.237 2.856 5 1 HFBF O=c1c2cc(F)ccc2nc2c3ccccc3c(NCCCN3CCOCC3)nn12 1772656594 KTYJJNCRWYKSIU-UHFFFAOYSA-N 407.449 2.669 5 1 HFBF CC[C@H]1C[N+]2([O-])CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 33832490 UQZWROIYWUBTCH-NBCBOINISA-N 400.475 2.713 5 1 HFBF biogenic,in-vitro C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)[C@H]1C[N+](=O)[O-] 587264473 SIKHJWVOAQSTOV-ZOFUNIGCSA-N 410.224 2.684 5 1 HFBF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 587273199 FUHNXZMCTZCEOY-GFCCVEGCSA-N 406.468 2.502 5 1 HFBF COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1C[C@H](O)C(C)(C)O 14819199 FDDICYCDJLNBGT-HNNXBMFYSA-N 400.383 2.787 5 1 HFBF biogenic COc1ccccc1N1CCN(C(=S)SCCn2c([N+](=O)[O-])cnc2C)CC1 49047756 ZDBCJNKGVSSKTG-UHFFFAOYSA-N 421.548 2.949 5 1 HFBF COc1cc(OC)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 587265009 BMPQWTHRQPANAF-XXFAHNHDSA-N 417.378 2.931 5 1 HFBF O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)NCCCNCCO 1857628013 AKONBGLFUILFTK-UHFFFAOYSA-N 405.502 2.606 5 1 HFBF O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Cl 586942525 NLRZXOCQSKABQZ-UHFFFAOYSA-N 416.246 2.694 5 1 HFBF O=[N+]([O-])c1ccc(N2CCN(CCN3CCN(c4ccc(F)cc4)CC3)CC2)cc1 1772571815 GDFXPKDKQXKGHD-UHFFFAOYSA-N 413.497 2.678 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc([N+](=O)[O-])cn1 587867945 FEMUUMVTSWDVHQ-UHFFFAOYSA-N 410.312 2.808 5 1 HFBF Cc1nn(C[C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)c1[N+](=O)[O-] 962980591 VBHIXCDPCHISFQ-SJCJKPOMSA-N 414.796 2.854 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(F)cnc(Br)c3[nH]2)cc1 586920396 PGUPCXPNVQSYMX-UHFFFAOYSA-N 415.200 2.742 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 587267470 ZVDUHOSREYLFLH-ANRSDYALSA-N 402.323 2.822 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)nc(S)nc2[nH]1 587261047 QPPWTZREDICOAP-ZETCQYMHSA-N 405.392 2.607 5 1 HFBF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-])C(F)(F)F 3808605 VOJCXCWFWTUSGS-OAHLLOKOSA-N 418.349 2.679 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)nn1)C2 66258590 LVMDLDBMZKSGMK-LBPRGKRZSA-N 422.323 2.640 5 1 HFBF O=[N+]([O-])c1ccc(-n2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 169331299 FULHHRQZTVHBFP-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 72122843 HNGFRHNWGJXIEH-ZDUSSCGKSA-N 423.307 2.987 5 1 HFBF COc1ccc(/C=C2/C[C@@](CO)(COC(=O)c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 40892395 REODVEDTBFZQNT-KGGGBHMPSA-N 413.382 2.522 5 1 HFBF CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccc(F)cc2)CC1 169303094 PJJQIQYDAPHPJK-UHFFFAOYSA-N 411.437 2.571 5 1 HFBF COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650831 UXHZZIHTNJDFAN-UHFFFAOYSA-N 402.384 2.502 5 1 HFBF COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ncccc2c1 35000856 QPQAKYTXPYXDJZ-UHFFFAOYSA-N 404.360 2.861 5 1 HFBF N[C@@H](CCc1nc2cc(Br)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270498 KVEIYMCUYFTWDU-LBPRGKRZSA-N 419.239 2.527 5 1 HFBF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 587260589 VGIUQPPAMYQZBN-INTQDDNPSA-N 424.251 2.773 5 1 HFBF COc1cc(OC)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 587265008 BMPQWTHRQPANAF-JDNHERCYSA-N 417.378 2.931 5 1 HFBF N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271913 JOKPKVBSAZOUIY-AWEZNQCLSA-N 411.418 2.531 5 1 HFBF CSc1nccc(-c2ccc(S(=O)(=O)n3nc(C)c([N+](=O)[O-])c3C)s2)n1 24792526 JYBZOOAOVKGOEM-UHFFFAOYSA-N 411.490 2.886 5 1 HFBF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586936857 NXAKRFSJIRAFMQ-GFCCVEGCSA-N 407.477 2.639 5 1 HFBF COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587267285 WJVMSBNKXLJMTQ-JDNHERCYSA-N 415.362 2.700 5 1 HFBF C[C@H](COC(=S)Nc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1C(=O)O 28522288 JCQYMZNEUDHYIM-LLVKDONJSA-N 403.416 2.825 5 1 HFBF Cc1c2c3cc(NC(=O)CNC(=O)[C@@H]4CCCN4)ccc3nc-2n(C)c2ccccc12 103032455 PHUMGVXBDFMCPX-IBGZPJMESA-N 415.497 2.946 5 1 HFBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(S(C)(=O)=O)cc1 1857580077 ZKCCQSZNBUUGOV-UHFFFAOYSA-N 424.438 2.977 5 1 HFBF COc1ccc(CN2C(=O)[C@@](O)(C[N+](=O)[O-])c3cc(OC(F)(F)F)ccc32)cc1 96907189 BKLKQXXGFNYIFP-QGZVFWFLSA-N 412.320 2.605 5 3 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCCCNc2nsc3nccn23)cc1 13641268 CMHSDVJFHORNCL-UHFFFAOYSA-N 424.508 2.650 5 1 HFBF O=C(O)c1ccc(OCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1 169339244 QMHUMYQZAGKFBV-UHFFFAOYSA-N 401.327 2.953 5 1 HFBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc([N+](=O)[O-])ccc1OCC(=O)O 963604741 FHKNQVNBFSIJLM-PRWKNARSSA-N 402.403 2.699 5 1 HFBF O=C1Nc2ccccc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 1857605008 FVMLHRXIGIRPHE-HDAAZOAOSA-N 423.860 2.854 5 1 HFBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743912 BZXWMTTWNUMBES-XLFHBGCDSA-N 411.227 2.585 5 1 HFBF COC(=O)C[C@H](c1ccc(OC)c(OC)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13757418 CTNMKDMXDXFPNV-CQSZACIVSA-N 414.370 2.512 5 1 HFBF COc1cc(CC(=O)NC(=N)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 299834409 XSNYMTFMUGNRCZ-UHFFFAOYSA-N 406.826 2.649 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586924624 DFTOHDWIQFKKPV-AWEZNQCLSA-N 409.811 2.919 5 1 HFBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587265061 LLULQJXMHSKRJV-VIFPVBQESA-N 405.392 2.956 5 1 HFBF COc1cc([C@@H]2C(=O)NC(=O)N2c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC 1857763338 DWPNTLRTTITUQT-MRXNPFEDSA-N 401.375 2.727 5 1 HFBF CN(C)CCn1c(=O)c2ccc([N+](=O)[O-])cc2c2cnc3cc4c(cc3c21)OCO4 26378810 HYOATKVUABBMMF-UHFFFAOYSA-N 406.398 2.901 5 1 HFBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 587265685 WMTREXOEHGSULS-MLXNANBUSA-N 419.325 2.751 5 1 HFBF CCCNS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 95582980 XYCXQEBQLMVGIP-UHFFFAOYSA-N 422.510 2.978 5 1 HFBF C[C@@]1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O 1772587800 XNLFZORWVJHMHV-PGGUUEOZSA-N 405.354 2.787 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(C(F)(F)F)nc3)cn1)C2 72142878 RCGJMFDKTQZPJF-NSHDSACASA-N 408.296 2.502 5 1 HFBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587227712 SQXLFYKHHGQXTQ-UHFFFAOYSA-N 417.809 2.667 5 1 HFBF O=C(Cn1cc([N+](=O)[O-])cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655873 CLWHBGQYKKHBHM-UHFFFAOYSA-N 411.324 2.787 5 1 HFBF CCCCCCN[C@@H](c1cccc([N+](=O)[O-])c1)[P@](=O)(O)CC[C@H](N)C(=O)O 1772646558 CZFHKLILBAYRNV-JKSUJKDBSA-N 401.400 2.836 5 1 HFBF O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 4747836 QQICTSNXQWQHQU-LJBHTKMOSA-N 419.437 2.958 5 1 HFBF O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2ccc([N+](=O)[O-])cc2s1 299837042 PCBVRFCPXSKSAH-UHFFFAOYSA-N 415.343 2.659 5 1 HFBF COc1cc(N)c(I)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587178579 FXOPRRZHFHLYKE-UHFFFAOYSA-N 411.159 2.729 5 1 HFBF Cn1cc2c(nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n3nc(-c4ccco4)nc23)n1 13472324 PCXPLFCLERZTBF-UHFFFAOYSA-N 419.361 2.823 5 1 HFBF C[C@]1(CN2CCn3cc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1 1857561850 ZZBFIWOKNLTXNI-IBGZPJMESA-N 416.388 2.600 5 1 HFBF Cn1cc(/C=C2\C[C@@](CO)(COC(=O)C(C)(C)C)OC2=O)c2cc([N+](=O)[O-])ccc21 1857632749 LWIQJWIQVPZBME-FAKWYAOSSA-N 416.430 2.737 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(=O)O)c(F)cc2[nH]1 587265689 WMTREXOEHGSULS-NZFNHWASSA-N 419.325 2.751 5 1 HFBF O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2NCCc3c(C(=O)O)cccc32)c1 963125250 SEFJMYFJRBFNSC-LJQANCHMSA-N 400.387 2.772 5 1 HFBF COCCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 96939873 YSTUQLKANXXBIO-UHFFFAOYSA-N 415.358 2.830 5 1 HFBF COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@H]4OC4(C)C)c3n(C)c2c1OC 14587144 IPKWOZPFADULKT-TZIWHRDSSA-N 415.442 2.634 5 1 HFBF endogenous,in-man COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1C[C@@H](O)C(C)(C)O 14819197 FDDICYCDJLNBGT-OAHLLOKOSA-N 400.383 2.787 5 1 HFBF biogenic C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(I)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587263219 KRHWGKRKUZQBRN-IEBDPFPHSA-N 413.215 2.828 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)ccc1[N+](=O)[O-] 587263079 KPAKZFCLDDJJTA-UHFFFAOYSA-N 423.429 2.725 5 1 HFBF COc1cccc2cc3c(nc12)[C@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)NCC3 963043726 ABXMFKLWBIVTGP-FQEVSTJZSA-N 409.398 2.850 5 1 HFBF CNC(=O)NCCNC(=O)c1c2ccncc2c(C)c2c1[nH]c1ccc(OC)cc12 1772648961 DOPUJGIBPSYKTG-UHFFFAOYSA-N 405.458 2.845 5 1 HFBF O=C1Nc2c(c(=O)nc3sc([N+](=O)[O-])cn23)[C@@H](c2ccccc2C(F)(F)F)N1 169729544 IKQIOHWTCAENHB-SNVBAGLBSA-N 411.321 2.908 5 1 HFBF O=C(O)C[C@@H](Sc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-])C(=O)O 26507355 NPXKPNYJEQAEFA-CQSZACIVSA-N 419.367 2.544 5 1 HFBF CC(C)O[C@@H]1C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](COC(=O)C(C)(C)C)O1 28656203 PFQAWVIEAVTMFZ-HCXYKTFWSA-N 423.462 2.655 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 377857497 DIPPXSJGIDURDU-CRRGZETMSA-N 422.481 2.968 5 1 HFBF CN(C)CCCNC(=O)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN(C)C 27073764 VDNQJHUWTQWDPN-UHFFFAOYSA-N 406.534 2.914 5 1 HFBF CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3C 169343016 LDGFHTXIHOJQHV-ZSEKCTLFSA-N 418.446 2.555 5 1 HFBF COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CC[N+]3([O-])C[C@H]2CC[C@H]1O 238785134 SANIGXXUGRLAGR-BXUFFXRESA-N 400.475 2.668 5 1 HFBF CCS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 587118366 PJYLXKLTHJACGO-UHFFFAOYSA-N 417.369 2.837 5 1 HFBF COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 587267282 WJVMSBNKXLJMTQ-ABKXIKBNSA-N 415.362 2.700 5 1 HFBF O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652431 DPKDMPYMXAMEQS-UHFFFAOYSA-N 409.789 2.891 5 1 HFBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN(C)C 82082682 YIZFFFWTCNULIF-INIZCTEOSA-N 420.491 2.578 5 1 HFBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(C(F)(F)F)cc3)c1)C2 45253707 XGSULPZCFVRYAW-AWEZNQCLSA-N 409.324 2.974 5 1 HFBF O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F 587134006 HNBRNTOAWUOMCR-UHFFFAOYSA-N 404.301 2.506 5 1 HFBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 587267471 ZVDUHOSREYLFLH-AYVTZFPOSA-N 402.323 2.822 5 1 HFBF Nc1ncnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 587117172 ARGTVJRXFGPDGK-UHFFFAOYSA-N 404.312 2.774 5 1 HFBF CC[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1 587185916 YJCGXKSLDQAKNI-JTQLQIEISA-N 412.191 2.975 5 1 HFBF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1ccncc1[N+](=O)[O-] 963156218 ZIJLQXLOVMSQJD-KPZWWZAWSA-N 420.447 2.956 5 1 HFBF CO[C@H]1[C@@H](O)CO[C@@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@@H]1O 377815824 CKZDUHIWGBLFRX-OUFMZXHOSA-N 408.454 2.931 5 1 HFBF COc1ccc(-c2cnnn2Cc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 58582536 FSPQZFREGADGRK-UHFFFAOYSA-N 400.391 2.936 5 1 HFBF Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3cccc([N+](=O)[O-])c3)n2)n[nH]1 169312487 HNGRAFLHXDDWDJ-UHFFFAOYSA-N 409.454 2.655 5 1 HFBF O=[N+]([O-])c1ccc(CSc2nnn(Cc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1 473135523 JDLOIZJAQKPHCL-UHFFFAOYSA-N 417.363 2.738 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(=O)O)c2[nH]1 587266198 JLTHEUSYVVZAOQ-NXSYQRQQSA-N 419.325 2.751 5 1 HFBF CCOC(=O)Nc1cc(N[C@@H](C)C(=O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 27190078 HJNWAJHOSBUDFB-NSHDSACASA-N 403.395 2.589 5 1 HFBF CC[N+](C)(CC)Cc1cc(/N=c2\ccn(C)cc2S(=O)(=O)N(C)C)ccc1OC 43063870 YYPBSUKTXWVUQH-ZBJSNUHESA-N 421.587 2.503 5 1 HFBF O=C1N[C@H](c2ccccc2[N+](=O)[O-])NC2=C1[C@@H]1CCCN1C(=O)N2c1ccccc1 45285991 ZXZKEFPPCSYGIH-FUHWJXTLSA-N 405.414 2.629 5 1 HFBF O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 169331297 BSBPNXMYYNRYBA-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF NC(=O)c1cc(N2CCC(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263581 VIBONDOBRIQHBD-UHFFFAOYSA-N 410.390 2.862 5 1 HFBF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587127812 FZMHTGYNERUUFF-UHFFFAOYSA-N 406.324 2.895 5 1 HFBF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587260038 QNZRVZWGSIQDJT-NSHDSACASA-N 404.224 2.575 5 1 HFBF COc1ccc2nc3c(C)c4ccn([C@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1 377816230 AYZUTSFWGJOMSQ-QGQQZZQASA-N 408.454 2.580 5 1 HFBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)N1 587743711 BGHWPKWAXRPLJI-HUTHGQBESA-N 411.227 2.585 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCO3 587264887 AHBCSZXODOMFPT-HUTHGQBESA-N 415.362 2.685 5 1 HFBF C[C@H]1CN(C)C(=O)Cc2cc([N+](=O)[O-])ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C 95661041 QACBWQFEJAKWAM-SUMWQHHRSA-N 407.467 2.860 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1 587868194 HTSJQGSJTXKYTF-SECBINFHSA-N 410.312 2.979 5 1 HFBF O=C(O)Cn1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(Br)cc1F 13649919 XJMLNULZBOUUNR-UHFFFAOYSA-N 424.182 2.746 5 1 HFBF O=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)[C@@](O)(c1ccccc1)C1CCC1 13825804 YCYUPHLMTJRTDF-XMMPIXPASA-N 423.513 2.969 5 1 HFBF COCCOc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1[N+](=O)[O-] 587266429 XJEWSIYMYRSNKP-UHFFFAOYSA-N 423.429 2.919 5 1 HFBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc([N+](=O)[O-])cc2[nH]1 587267473 ZVDUHOSREYLFLH-VXJOIVPMSA-N 402.323 2.822 5 1 HFBF COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(O)CO)O2 45496039 PQZZHBPIPUNSHS-YKSBVNFPSA-N 405.450 2.900 5 1 HFBF COc1ccc(Cn2nncc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 58576290 QUZNTJXIJGNKBC-UHFFFAOYSA-N 400.391 2.936 5 1 HFBF CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 82149732 WMXGMCNCKJLLHZ-UHFFFAOYSA-N 411.462 2.761 5 1 HFBF Cc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163655 PGQAYCZGBGUOFK-AWEZNQCLSA-N 408.418 2.717 5 1 HFBF NS(=O)(=O)c1cc([N+](=O)[O-])c(N(Cc2ccccc2)CC2CC2)c([N+](=O)[O-])c1 58592330 XRYYYMDRXRJVII-UHFFFAOYSA-N 406.420 2.567 5 1 HFBF N[C@@H](CCc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270000 HHMGHQMUUXJMLQ-NSHDSACASA-N 408.340 2.784 5 1 HFBF COCCOc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1[N+](=O)[O-] 587264190 COAHRZLPUBVLKW-UHFFFAOYSA-N 401.375 2.959 5 1 HFBF COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H](O)[C@@H]4OC4(C)C)c3n(C)c2c1OC 14587141 IPKWOZPFADULKT-CTNGQTDRSA-N 415.442 2.634 5 1 HFBF endogenous,in-man C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 587266853 POVSZQFUYLEYIR-AYVTZFPOSA-N 401.335 2.612 5 1 HFBF O=c1c2cc(Cl)ccc2oc2ccc(CN3CCN(CCOCCO)CC3)cc12 1857569795 LWOOQIZOYDLTJU-UHFFFAOYSA-N 416.905 2.726 5 1 HFBF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc([N+](=O)[O-])cc2)=N1 101509135 WNVDHEHSSQPTQA-GOEBONIOSA-N 405.366 2.551 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)cc1C(F)(F)F 653905744 LDIREWUNLYZOAB-GFCCVEGCSA-N 418.397 2.911 5 1 HFBF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc([N+](=O)[O-])cc1 82147673 ZXRWNSMQINKYOU-UHFFFAOYSA-N 401.467 2.910 5 1 HFBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 587868419 KVSCCHUTVJFLKN-UHFFFAOYSA-N 410.312 2.808 5 1 HFBF N[C@@H](CCc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270097 KENIHWAQCSUBDK-LBPRGKRZSA-N 408.340 2.784 5 1 HFBF CCOP(=O)(OCC)[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCOCC1 26826801 ZWRIMWITWLONFF-INIZCTEOSA-N 404.356 2.906 5 1 HFBF COCCN1CCN(C(=O)c2nc3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 653803568 ALJVENCEWOCEPQ-UHFFFAOYSA-N 418.397 2.628 5 1 HFBF COc1cc2cc3c(=O)[nH]c(=O)c=3cc3cc(OC)c(OC)c(OC)c3c2cc1OC 103228572 VDOJCNSIEXMWJU-UHFFFAOYSA-N 423.421 2.809 5 1 HFBF CCOC(=O)C1=C(C)NC(OCC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 148367545 ZVUQWPQXEDQMQO-INIZCTEOSA-N 404.419 2.930 5 1 HFBF O=C(CSc1nnc(-c2ccccc2O)o1)Nc1nc2ccc([N+](=O)[O-])cc2[nH]1 1857643531 DKEOAHAKWAOYGR-UHFFFAOYSA-N 412.387 2.958 5 1 HFBF CCOP(=O)(OCC)[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])N1CCOCC1 26826796 ZWRIMWITWLONFF-MRXNPFEDSA-N 404.356 2.906 5 1 HFBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc([N+](=O)[O-])c2[nH]1 587265605 GCUWNZULACOQHW-XLKFXECMSA-N 402.323 2.822 5 1 HFBF CN1C(=O)[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)N(C)C(=O)C1=Cc1cccc(O)c1 2356875753 IZOWWISJSDKJLC-LJQANCHMSA-N 420.425 2.664 5 1 HFBF COC(=O)c1cccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12 587266679 MWUUJLPOAPCDIQ-PSLIRLAXSA-N 415.362 2.700 5 1 HFBF CN(C(=O)N(C)[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 82152352 BXXBEDOIJRKKBW-NSHDSACASA-N 415.328 2.639 5 1 HFBF CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCOC)[C@@H]1c1cccc([N+](=O)[O-])c1 137726735 HYOVUNOASVUIDZ-FUHWJXTLSA-N 404.419 2.796 5 1 HFBF Cc1onc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080989 ZCBYUXYTBVLNBR-UHFFFAOYSA-N 414.769 2.915 5 1 HFBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 1772580718 YSVSVRJCMXOTGE-GOSISDBHSA-N 419.434 2.840 5 1 HFBF CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2cc3ccccc3cc12 27207806 JBPLQYKEMMHUQZ-UHFFFAOYSA-N 406.530 2.576 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1 587268422 WZCWJAXZVAHRNA-UHFFFAOYSA-N 420.495 2.918 5 1 HFBF O=C(N[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc([N+](=O)[O-])cc1 1857604145 GOHCNNUQLXUZGZ-HOTGVXAUSA-N 412.402 2.974 5 1 HFBF CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085829 BDSCZOLQUXRAPN-UHFFFAOYSA-N 420.491 2.674 5 1 HFBF CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc([N+](=O)[O-])c1Cl 586928211 ZDQNFKRPJHINEI-UHFFFAOYSA-N 422.806 2.526 5 1 HFBF COc1ccc2c(c1)C=C([N+](=O)[O-])[C@H]([C@@H]1OC(C)(C)O[C@H]1[C@@H]1COC(C)(C)O1)O2 1613606 XCSPWLQVNNIZQE-MHORFTMASA-N 407.419 2.745 5 1 HFBF CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1cccnc1 586929036 PQLHPMCDWHNAAI-UHFFFAOYSA-N 404.455 2.875 5 1 HFBF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2cn3cccc([N+](=O)[O-])c3n2)N1 962637481 MCONXZBUPUFETP-ZUZCIYMTSA-N 422.319 2.829 5 1 HFBF NS(=O)(=O)c1ccc(-c2nc3scc(-c4cccc([N+](=O)[O-])c4)n3n2)cc1 1772652959 JYTIIKDIKWQAHS-UHFFFAOYSA-N 401.429 2.680 5 1 HFBF CCCCNS(=O)(=O)c1ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c1 587268222 XQQWCPZBDFUZAB-LBPRGKRZSA-N 406.468 2.664 5 1 HFBF O=C(O)CC/C=C\C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F 28230802 NXUKJWZSLHXBGG-VAQZSXDKSA-N 400.428 2.801 5 1 HFBF CN(C)CCn1c(=O)c2cccc([N+](=O)[O-])c2c2cnc3cc4c(cc3c21)OCO4 26376100 RNWGIKJBCNJMQN-UHFFFAOYSA-N 406.398 2.901 5 1 HFBF CN(C(=O)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1 82149426 AYJRIPQMNNRHNH-NSHDSACASA-N 402.285 2.724 5 1 HFBF COC(=O)c1ccnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 587270515 LIOFNUIONCXFFY-UHFFFAOYSA-N 409.402 2.673 5 1 HFBF CC(=O)Oc1cc(C(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1OC(C)=O 27755190 HXWHRMZODRVWQL-UHFFFAOYSA-N 402.315 2.779 5 1 HFBF N[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Cc1cc(F)c(F)cc1F 84688152 WGBCFLGICXGBGM-CQSZACIVSA-N 422.407 2.621 5 1 HFBF Cc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23C(=O)Nc2ccccc23)cc1 1857547186 YMUNZYFPINSJMQ-DYQZNNLLSA-N 403.442 2.509 5 1 HFBF CCCn1cnc2c1c(=O)n(CCCc1c(C)[nH]c3cccc([N+](=O)[O-])c13)c(=O)n2C 587647670 LWWQYZPUOMSWHA-UHFFFAOYSA-N 424.461 2.637 5 1 HFBF CCCC[N+]1(C)CCN(CCNC(=O)n2c(=O)n(C(C)C)c3ccccc32)CC1 13799447 VCGFDBHYHDWWIG-UHFFFAOYSA-O 402.563 2.504 5 1 HFBF CCCCOCCCNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084750 MBEGMLMQJTYUJY-UHFFFAOYSA-N 420.491 2.771 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3noc4c(Cl)cccc34)CC2)cc1 299821557 FWKBGNFIWYKZKZ-UHFFFAOYSA-N 422.850 2.900 5 1 HFBF O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587268511 BDSXOUMWDTXXKB-UHFFFAOYSA-N 401.326 2.772 5 1 HFBF O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNc1nsc2nccn12 6717047 OUUBDONEXJQYMD-UHFFFAOYSA-N 424.508 2.650 5 1 HFBF O=C1NC2=C(CNC/C2=C\c2cccc([N+](=O)[O-])c2)[C@@H](c2cccc([N+](=O)[O-])c2)N1 96270596 JAKNUHQZRLDCRU-GAVDFCLNSA-N 407.386 2.798 5 1 HFBF O=[N+]([O-])c1cc(CSc2nnnn2-c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 169331577 OEKNLSDPXKCDPI-UHFFFAOYSA-N 403.336 2.679 5 1 HFBF CN(C)C(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586927182 UBDMYMKOSICWRX-UHFFFAOYSA-N 422.850 2.897 5 1 HFBF CCOC(=O)C1=C(C)N2CCCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 17220893 VYJIGLZLCDRKOF-OPYAIIAOSA-N 418.446 2.757 5 1 HFBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587261565 CJKHPPKCZIBYKM-ZETCQYMHSA-N 406.786 2.630 5 1 HFBF COC(=O)C1=C(C)N=C(Cn2ccnc2)/C(=C(/O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 27723837 PYPNXLBDMBOQFU-DMEQXSTQSA-N 412.402 2.893 5 1 HFBF CCOC(=O)C1=C(C)NC(OCC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 148367355 ZVUQWPQXEDQMQO-MRXNPFEDSA-N 404.419 2.930 5 1 HFBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O 587432719 LGHJNGZQNQCJGG-BUXKBTBVSA-N 415.354 2.564 5 1 HFBF O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)OCc1ccc(-c2ccc(F)nc2)cc1 73197572 HEWRIVWKYWKAIJ-HNNXBMFYSA-N 413.365 2.680 5 1 HFBF CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1 96921175 HETAWOYEKCYBSJ-UHFFFAOYSA-N 421.431 2.576 5 1 HFBF CCOC(=O)[C@@H](C[C@@H]1C(=O)C2CCN1CC2)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 64246537 MRDNIZGAHIXZSC-XJKSGUPXSA-N 408.838 2.664 5 1 HFBF COC(=O)c1cc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2cc1OC 587118933 UOMLOTKKXXWFQG-UHFFFAOYSA-N 413.312 2.838 5 1 HFBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CN[C@H](C(F)(F)F)C3)cc1 13687058 NONXZJAVDFYVCB-HNNXBMFYSA-N 401.366 2.972 5 1 HFBF CC(C)(C)S(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28012564 UVECLMRJCCXGAI-AWEZNQCLSA-N 412.386 2.516 5 1 HFBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586919977 JURKGLBZBPGSKA-UHFFFAOYSA-N 421.744 2.859 5 1 HFBF Cc1ccc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c2c1 1772612084 LLUWBQRIPVSIDX-UHFFFAOYSA-N 403.486 2.839 5 1 HFBF O=c1oc2cc(O)ccc2c2c(O)c(O[C@@H]3c4ccc(O)cc4O[C@@H]3CO)ccc12 13461091 FAURSMOHIVWLRP-WIYYLYMNSA-N 408.362 2.936 5 1 HFBF biogenic C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)O)cc2[nH]1 587266854 POVSZQFUYLEYIR-GLEZIHRCSA-N 401.335 2.612 5 1 HFBF