smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(/C=C2\SC(=O)N(Cc3c4ccccc4nc4ccccc34)C2=O)cc1 103185409 ZCRJALJIBGJMRE-UCQKPKSFSA-N 410.498 5.933 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 104021115 ZBNZXQWEIAUSKX-WNSKOXEYSA-N 417.490 6.285 5 1 HKBF O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 169293589 DVVOTUXKOYRRNA-ZCLUNYJNSA-N 417.509 5.448 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)ncc2[nH]1 586968877 KGBHUJUQNWGQIR-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)cc1 587271565 GCTRCVTYDSAVFI-UHFFFAOYSA-N 415.327 5.829 5 1 HKBF COc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@](C)(CCC=C(C)C)C=C4 2356628710 BSPFIFWAAPLSFN-XMMPIXPASA-N 408.450 5.277 5 1 HKBF CC(C)/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5834576 SJEQTHLHNYYKDS-ZZIIXHQDSA-N 404.517 6.183 5 1 HKBF O=C(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cccc(C(F)(F)F)c1 587110727 APNLVQHMQUJXIO-UHFFFAOYSA-N 419.406 5.818 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587271517 DUALRCQQHMNHMS-UHFFFAOYSA-N 403.394 5.092 5 1 HKBF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587274000 XQJCGSHEQKXEQJ-UHFFFAOYSA-N 423.812 5.370 5 1 HKBF O=C(c1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645482 WNXFQTFQQXRRBN-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(Cl)c4)c(Cl)c3)[C@@H]1C2 95564737 MLIUSWUOJRLQKV-REWPJTCUSA-N 415.428 7.229 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)(C)C 587205850 UQLCBDIBHXBGJM-FQEVSTJZSA-N 417.553 6.351 5 1 HKBF Cc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)s2)cc1 653854690 ZLMQHCMNWNAXFF-UHFFFAOYSA-N 411.430 5.733 5 1 HKBF CCOP(=O)(OCC)[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1 71317040 JPIUBJORAABACB-QGZVFWFLSA-N 414.782 5.331 5 1 HKBF O=C(O)c1ccc2cc([C@@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169338180 OZMMWMAPZPSCED-IERDGZPVSA-N 417.427 5.276 5 1 HKBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1 587049194 IKMKXUDHWLQKBL-UHFFFAOYSA-N 422.784 5.179 5 1 HKBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2Br)cc1 587644486 XDYQZXIGFCVTMQ-UHFFFAOYSA-N 407.267 6.481 5 1 HKBF CCCc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=C[C@H](c2ccccc2)O1 169342979 PVEWWODPQWZMDF-QGZVFWFLSA-N 403.390 5.547 5 1 HKBF CCc1ccc(-c2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cs2)cc1 587016612 ZFVNFVRXCBHESH-UHFFFAOYSA-N 405.526 7.222 5 1 HKBF Cc1c(-c2cc([N+](=O)[O-])ccc2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627621 FVXMGRODJJGOBJ-UHFFFAOYSA-N 404.266 5.795 5 1 HKBF CC(=O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)ccc2F)cc1 587139464 KLKWUMIGIAPYCJ-UHFFFAOYSA-N 409.804 5.800 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(Br)c2[nH]1 586969212 OQRVRZMMMGJNLG-UHFFFAOYSA-N 406.305 5.649 5 1 HKBF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587120760 FWXYZXNDPSVRLE-UHFFFAOYSA-N 422.292 5.087 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccc4ccccc4c23)N1 587818473 DSWOREFEGYBRND-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF O[C@@H](C[C@H]1CC2CCN1CC2)c1cc2ccccc2c2cc(Br)ccc12 169338096 YAMWIWAUYHCSSU-JPYJTQIMSA-N 410.355 5.663 5 1 HKBF Cc1cc2nc(-c3ccc(-c4nnc(-c5cccc([N+](=O)[O-])c5)o4)cc3)[nH]c2cc1C 473134876 JDRIFBYEUBWRTP-UHFFFAOYSA-N 411.421 5.472 5 1 HKBF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc([N+](=O)[O-])cc2)CCCC1 13736830 RPVUZRVFPOWFML-UHFFFAOYSA-N 423.557 6.475 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C 85673582 GMQZSQMIENYQEB-PPNURUTESA-N 410.598 5.751 5 1 HKBF endogenous,in-man CC(C)(C)OC(=O)Nc1cnc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)s1 587023969 XYOHDEQVWQFINH-UHFFFAOYSA-N 418.482 5.130 5 1 HKBF COc1cc(F)ccc1-c1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587157781 GMKVWNBAJCEUED-UHFFFAOYSA-N 411.820 5.530 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2oc2ccc(OC)cc12 95572402 DTRWEVKUJUKENI-QGZVFWFLSA-N 405.542 6.017 5 1 HKBF COc1cc2cc3c4cc(-c5ccc(C)cc5)c(OC)cc4cc[n+]3c(C)c2cc1OC 95576735 OEHKLZRAQIXVPK-UHFFFAOYSA-N 424.520 6.041 5 1 HKBF CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1 104071597 GEMZBVJJTVCWFS-OAQYLSRUSA-N 410.470 5.279 5 1 HKBF Cc1c(Br)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1C 587047535 KCWQBJKVHWJBEJ-GQCTYLIASA-N 406.667 5.674 5 1 HKBF Fc1ccc(/C=C(\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2cccs2)cc1 587164442 QSPYDWAVDTTXMJ-ATVHPVEESA-N 422.488 6.449 5 1 HKBF CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198270 WHXGRJBSOSKMBI-SFHVURJKSA-N 416.865 5.090 5 1 HKBF Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374001 FQJBKZRFVPVLHB-QHCPKHFHSA-N 422.868 5.356 5 1 HKBF COc1ccc2[nH]c3c(C)c4cc[n+](COC(=O)c5ccccc5)cc4c(C)c3c2c1 1622706 DGXVADSXMPTJAF-UHFFFAOYSA-O 411.481 5.202 5 1 HKBF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4ccc([N+](=O)[O-])cc4)s2)N3C)cc1 14978618 JERGWFJDGWCPDJ-GNXKAVGDSA-N 419.550 5.761 5 1 HKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586982930 SAUTVMSNMZTKQC-CQSZACIVSA-N 402.292 5.606 5 1 HKBF Cc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165952 IUHFKMLLOFWKEW-UHFFFAOYSA-N 405.476 6.989 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c1 587270390 NGYVWGPNBKHNQJ-UHFFFAOYSA-N 413.206 5.102 5 1 HKBF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2S1 3816655 FWWKIYPMUZVMQG-UHFFFAOYSA-N 401.557 5.956 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023823 QELIHNNKZCPTPO-UHFFFAOYSA-N 407.274 5.086 5 1 HKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(Cl)cc1[N+](=O)[O-] 587625743 LEAPWICAUJBXFW-UHFFFAOYSA-N 422.712 6.743 5 1 HKBF CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C 936069655 JJMKRPXUHIPSAW-YFFSNXBQSA-N 404.682 9.933 5 1 HKBF in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)C(C)(C)CCC1 40835284 YTGPMDFEXSGXTP-FXILSDISSA-N 420.553 7.065 5 1 HKBF CC(C)COc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160033 CRDXHRRVACGTLA-UHFFFAOYSA-N 408.227 5.075 5 1 HKBF O=C(c1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645370 SKMXEDADHGMBNW-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587754276 XUWHFTORWDIQAO-GIGQVBGESA-N 419.250 5.040 5 1 HKBF COc1cccc(C2(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CCCC2)c1 587930059 CXRGQRNHHUCUCM-UHFFFAOYSA-N 416.275 5.102 5 1 HKBF CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2478324 GHAYCFQPPPAYQE-UHFFFAOYSA-N 417.824 5.239 5 1 HKBF CCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5837109 FHOHJACZKRPQRQ-WEMUOSSPSA-N 404.517 6.185 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587051964 WMVOVDBYLZMGFQ-QZTJIDSGSA-N 403.312 7.447 5 1 HKBF O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1coc2cc([N+](=O)[O-])ccc12 587280381 VFMXOLURWOXEPP-UHFFFAOYSA-N 418.352 5.714 5 1 HKBF CC(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746729 KVKAEIOSAFHUIY-JEOXALJRSA-N 407.283 5.243 5 1 HKBF COc1cccc(-c2[nH]c3cc(Cl)ccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)c1 1857557510 QZIJBQVNFCIXKQ-KRWDZBQOSA-N 412.898 5.967 5 1 HKBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c3ccccc3cc3cccc2c13 587529332 NXPRTNYQDWTRDO-NDEPHWFRSA-N 404.465 5.929 5 1 HKBF CC[C@@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(-c3nc4ccccc4[nH]3)c2c1 587640626 BVGKZYUKPSUAKT-OAHLLOKOSA-N 410.477 6.800 5 1 HKBF CCCC(=O)O[C@@H](C)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772618707 UOEAEXRHBJNZDJ-ZETCQYMHSA-N 422.315 5.309 5 1 HKBF CCN(CC)CCCNc1nccc2c(C)c3c(c(C)c12)c1cc(O)ccc1n3C 13673998 WSMYEMDZCLVLJH-UHFFFAOYSA-N 404.558 5.346 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 34804438 BXCVNDLGUWFNBK-UHFFFAOYSA-O 408.349 5.001 5 1 HKBF Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br 586969716 WHDYSXWLJAYNQI-UHFFFAOYSA-N 420.332 5.957 5 1 HKBF Clc1ccc2c(NCCNCc3c4ccccc4cc4ccccc34)ccnc2c1 64447480 SROMDHSMTUHEST-UHFFFAOYSA-N 411.936 6.396 5 1 HKBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3cc4ccccc4c2c13 587528483 AAIVJBRVNYETEJ-NDEPHWFRSA-N 404.465 5.929 5 1 HKBF CCOC(=O)CCc1c(C)[nH]c2c(C)c3c([nH]c4ccc(Cl)cc43)c(C)c2c1=O 5499662 KGDYUZVBRFHQHP-UHFFFAOYSA-N 410.901 5.237 5 1 HKBF COc1ccc(C[N+](C)(C)[C@H](C)CN2c3ccccc3Sc3ccccc32)cc1 40592378 XJKTVPKZLAUKBX-LJQANCHMSA-N 405.587 5.963 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c([N+](=O)[O-])c3)nc3ccc(O)c1c23 586985494 IQOTVOREJDXDNV-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587049671 DIHZNGPYYILEOA-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Cc1ccccc1[N+](=O)[O-] 587627879 LCYGAZVHZDJWIK-UHFFFAOYSA-N 402.294 6.013 5 1 HKBF O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc12 64521414 FHNSBIYBHXTXGH-UHFFFAOYSA-N 416.414 5.983 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587754271 XUWHFTORWDIQAO-APBUJDDRSA-N 419.250 5.040 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586897980 CQNJFXZOHSWDCU-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)/C(=C/c1cccc([N+](=O)[O-])c1)CC3 586986319 AIBMYEMRFYMXGO-NTCAYCPXSA-N 420.424 5.547 5 1 HKBF Cc1c2c(nc3cnc4ccccc4c13)-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC2 1857766816 LRBFHLSCHQGIKR-UHFFFAOYSA-N 410.561 7.246 5 1 HKBF COc1ccc(C[N+](C)(C)[C@@H](C)CN2c3ccccc3Sc3ccccc32)cc1 40592374 XJKTVPKZLAUKBX-IBGZPJMESA-N 405.587 5.963 5 1 HKBF O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45358809 LQPRDZOCWJBERO-UHFFFAOYSA-N 423.812 5.074 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)Oc2c1ccc1c2CCCC1 587507467 QSIGNIJARGNEEY-JOCHJYFZSA-N 423.852 6.094 5 1 HKBF CCOC(=O)/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 101719972 BOIBGYLCWVXQKX-KQWNVCNZSA-N 418.449 5.190 5 1 HKBF CC[C@H]1CCCN1Cn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 40423609 GGURDXWSJAWMSB-HNNXBMFYSA-N 414.530 5.153 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1 587135771 NZTRJBFRSVHINX-UHFFFAOYSA-N 401.319 5.670 5 1 HKBF O=[N+]([O-])c1ccc(/C=C/COc2nc(C(Cl)(Cl)Cl)nc3ccccc23)cc1 653864070 RJUUJTZXXLEJRG-ONEGZZNKSA-N 424.671 5.457 5 1 HKBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2Br)cc1 587643555 GGJDBMUEOPQZOJ-UHFFFAOYSA-N 407.267 6.481 5 1 HKBF CCCN(CCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338426 KIHPGLBQKGQNEH-QFIPXVFZSA-N 424.799 7.109 5 1 HKBF Cc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl 587054286 JMULWBGRSKBCCJ-KRWDZBQOSA-N 421.284 5.213 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)O2 587383777 GJUXMYCEIOEWBA-FQEVSTJZSA-N 424.453 5.482 5 1 HKBF COc1ccc(-c2ccc3nc(C(=O)O)c4c5cccc(Cl)c5[nH]c4c3c2)cc1 473109465 RXWMALGCZKYSQY-UHFFFAOYSA-N 402.837 5.897 5 1 HKBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1coc2ccc(Cl)cc12 587277865 GFAXKOCJAVTWGT-UHFFFAOYSA-N 402.189 6.139 5 1 HKBF COc1cccc(-c2cc(-c3ccc([N+](=O)[O-])cc3C)nc3c2oc2ccccc23)c1 587361932 CHOPCMZKHYUVTI-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954677 ARIVXFOSWXPLEL-QGZVFWFLSA-N 422.282 5.608 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587072137 WAZKBRQWXIZSPN-TWGQIWQCSA-N 406.829 5.269 5 1 HKBF CCCc1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nn1-c1ccccc1F 587154225 AFWVJCAVPMIOTH-UHFFFAOYSA-N 421.479 6.209 5 1 HKBF O=C(c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587646371 QHNBZVAVLZTKQG-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF Cc1c(F)cccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cccc(F)c1C 101420155 XEXMASOMLCDSNZ-WOJBJXKFSA-N 400.533 5.225 5 1 HKBF COC(=O)c1cccc2nc3c(C(=O)c4ccc(Cl)cc4Cl)cccc3nc12 103221290 ZJJHSKRDLUATHF-UHFFFAOYSA-N 411.244 5.107 5 1 HKBF Cc1cc(Br)ccc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586980981 IAPFMBIAXFUQKA-UHFFFAOYSA-N 419.282 5.309 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587071975 OFLQKORUJDARPY-DPGSSJLYSA-N 403.269 5.539 5 1 HKBF C[C@@]1(CCc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339360 SXJOKIRNNUVDID-UPVQGACJSA-N 421.424 5.190 5 1 HKBF Cc1cccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)c2cc(Cl)ccc2O)c1 587644656 JXIJBHPUVVXMMO-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)CC1 586881325 SZRLCKAQGMRIIJ-WKILWMFISA-N 411.933 7.256 5 1 HKBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3ccccc3cc2[nH]1 587055342 OVKCTXSGOINBPU-FQEVSTJZSA-N 422.872 5.405 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084639 FCHMFZGWOYKDMG-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o1)[C@@H](C2)C3=O 587420726 IJXJFZNMPWREKM-YEJXKQKISA-N 411.797 5.006 5 1 HKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)CC1CCCCC1 13812778 WSQKKWVOOOLTHJ-UHFFFAOYSA-N 416.054 6.990 5 1 HKBF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2ccc3ccc4ccccc4c3c2)cc1 45196281 PKFISDCWNQVISS-WXTAPIANSA-N 413.517 5.034 5 1 HKBF O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 49588989 CLZXITGNUVWIEP-FQEVSTJZSA-N 421.324 6.535 5 1 HKBF CCCCCCOc1ccc(Br)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586980817 AQTFXZXWCPGTEW-UHFFFAOYSA-N 418.291 5.860 5 1 HKBF Cc1ccc(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cc1[N+](=O)[O-] 587211336 PPCKEWCMDFCZSB-UHFFFAOYSA-N 409.445 5.469 5 1 HKBF CC1(C)CC(C)(C)c2cc(NC(=S)Nc3cccc([N+](=O)[O-])c3)ccc2S1 1857613355 QNLATUKQRZWOEQ-UHFFFAOYSA-N 401.557 5.956 5 1 HKBF CC(C)C(=O)c1c(Nc2ccc(F)cc2F)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84588037 ZKLPFSSDNGYEOG-UHFFFAOYSA-N 421.787 5.363 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023963 TYJCNHXKOUVQPI-UHFFFAOYSA-N 407.274 5.086 5 1 HKBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587109947 XXYDTAMTJWMHJX-UHFFFAOYSA-N 406.363 6.253 5 1 HKBF Cc1cc2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587137030 PKZYVFSEWBZZMI-UHFFFAOYSA-N 406.373 5.469 5 1 HKBF O=[N+]([O-])c1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1[N+](=O)[O-] 587164433 QNKDQXZFMNBNTI-JYRVWZFOSA-N 410.386 5.169 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SCc3ccco3)c([N+](=O)[O-])c1)O2 587409717 NWGDMBOIHNBADX-IBGZPJMESA-N 410.451 5.077 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)CC2=O 587472312 GBDILYYDWAOPCS-NRFANRHFSA-N 404.422 5.021 5 1 HKBF C[C@@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587508733 QFJNACPQADUGIT-OAQYLSRUSA-N 419.399 5.459 5 1 HKBF O=[N+]([O-])c1cccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3[nH]2)c1 587631559 OQHWHHKXQCYUDC-UHFFFAOYSA-N 406.804 6.079 5 1 HKBF CC/N=c1/cc2sc3cc(N(CC)CC)ccc3nc-2c2c(NC(C)=O)cccc12 103257739 AEDGJTPSIBZHQP-QQTULTPQSA-N 418.566 5.280 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587072136 WAZKBRQWXIZSPN-RMKNXTFCSA-N 406.829 5.269 5 1 HKBF CC(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577879 UJNZRKWUPFVUOO-REWPJTCUSA-N 405.406 5.127 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccccc1[N+](=O)[O-] 587859210 CWJZHBOEXZDBEF-UHFFFAOYSA-N 420.252 5.047 5 1 HKBF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13661883 JCFITQHCTOJUNS-XPGKHFPBSA-N 424.500 5.654 5 1 HKBF COc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 137771681 KQCNGEIMKBFFHP-UHFFFAOYSA-N 401.440 5.025 5 1 HKBF CCCCS(=O)(=O)N[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)C 586933675 VWNZVLBPHCZPKG-HXUWFJFHSA-N 409.555 5.286 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 587048393 VOCOPNMNIXGKRQ-DUXPYHPUSA-N 418.158 5.847 5 1 HKBF Cc1cc2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1[N+](=O)[O-] 587072750 WEJGXVDHROIGOR-IDYXDGGASA-N 416.308 6.452 5 1 HKBF CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])C2)C(C)(C)CCC1 95587345 SOACJZPHTZPZGC-KVACCUTFSA-N 415.537 6.985 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc([C@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)cc1 962670499 RMJIBXKAELWBNB-HHHXNRCGSA-N 422.484 6.289 5 1 HKBF O=[N+]([O-])c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1Nc1ccc2[nH]ccc2c1 64527811 JLLFNTCQFQNGNZ-UHFFFAOYSA-N 415.240 5.660 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)c1 104021112 ZBNZXQWEIAUSKX-NPMXOYFQSA-N 417.490 6.285 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Cl 586975237 KGYVIXUZGFLGQM-UHFFFAOYSA-N 421.465 5.861 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587175252 WNMJXKYWWPMLMW-UHFFFAOYSA-N 409.602 5.174 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2=O 587473426 URNHRRBJJQYHND-JOCHJYFZSA-N 423.421 5.228 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)Oc2c1ccc1c2CCCC1 587507470 QSIGNIJARGNEEY-QFIPXVFZSA-N 423.852 6.094 5 1 HKBF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CC(C)(C)CC2=N1 104071005 VLXJWYLWFXMCQW-NRFANRHFSA-N 424.497 5.525 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2ncccc12 169336653 AYJFAQHLKADMSM-JOCHJYFZSA-N 419.396 6.630 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338495 YHDRAPBDBZZFDE-SPLOXXLWSA-N 408.756 6.519 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)(C)C 587206648 XLJVQXREOIYQII-INIZCTEOSA-N 419.529 5.141 5 1 HKBF COc1ccccc1Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587239963 CQMMQZSXVPJZSM-UHFFFAOYSA-N 417.472 6.079 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)O2 587380574 WKQVBWZDXLNLBE-NRFANRHFSA-N 424.840 5.638 5 1 HKBF COc1cc(C)c2c(=O)c3c(OC)c(Cl)c(OC)c(Cl)c3oc2c1Cl 14769906 WIWXESWGHSIZFN-UHFFFAOYSA-N 403.645 5.241 5 1 HKBF biogenic COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N(C)[C@@H](C)C2 962629719 PUDLHDBIKGLCGK-UPCLLVRISA-N 418.493 5.245 5 1 HKBF C[N+](C)(CCCCCCc1ccc(-c2ccccc2)cc1)CCCCS(=O)(=O)O 26576111 DUTNGMDPJWBUAI-UHFFFAOYSA-O 418.623 5.201 5 1 HKBF O=C1C[C@@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)Oc2c1ccc1c2CCCC1 587512245 MLHCMKYXZHZJLW-QHCPKHFHSA-N 419.433 5.352 5 1 HKBF COc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@](C)(CCC=C(C)C)C=C4 2356628709 BSPFIFWAAPLSFN-DEOSSOPVSA-N 408.450 5.277 5 1 HKBF Cc1ccc(N2CCN(C(=O)/C=C/c3c4ccccc4cc4ccccc34)CC2)cc1 103228256 OPEHAUQEXYYDFC-CCEZHUSRSA-N 406.529 5.663 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 587273360 RQRSCSWNFGXDJU-UHFFFAOYSA-N 400.221 6.237 5 1 HKBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 6575637 HSTKMQXUSIPRJS-YLGSBGTBSA-N 403.482 5.256 5 1 HKBF Cc1ccc2c3c(cc(-c4cc(Cl)ccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586993584 OQJIKTKZBSSYGA-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF CC(C)(C)Oc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(N)cc1F 587135860 GTRRVOHGGXDFNO-UHFFFAOYSA-N 401.445 5.225 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587417189 AFZDFUWTSXNEOW-QKKBWIMNSA-N 411.797 5.006 5 1 HKBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1cccc2ccccc12 1772650118 QDNXQKUXKIBZRV-UHFFFAOYSA-N 407.429 5.173 5 1 HKBF Cc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1C 587119536 XTUGKMPSYPMIHQ-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c12 587646434 SOGDMNIEZKUNFF-UHFFFAOYSA-N 410.405 6.216 5 1 HKBF CCCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccccc2[N+](=O)[O-])cc1 1772578570 XPYLSUUYWSRWKK-UHFFFAOYSA-N 418.453 5.444 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 100782891 GMQZSQMIENYQEB-AZOFUWCESA-N 410.598 5.751 5 1 HKBF endogenous,in-man CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586982506 LFQGBZCQXBFHRG-CYBMUJFWSA-N 420.282 5.745 5 1 HKBF Brc1ccc2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cn2c1 587006871 UIJPTALWSOCPCR-UHFFFAOYSA-N 412.290 6.552 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1Cl 587070828 IBFBEMXYYQPKNF-UHFFFAOYSA-N 414.248 6.024 5 1 HKBF COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3C)nc3c2oc2ccccc23)c1 587361985 DMGLFEOGTFUNQB-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963095606 DCERQQWCTDWBMM-PXDATVDWSA-N 402.469 5.355 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cccc([N+](=O)[O-])c1)c1ncccc1C 963237682 YRDBGKQFIAYGKA-UQBPGWFLSA-N 401.510 5.247 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586968957 KZBPWJXEVSZRFZ-UHFFFAOYSA-N 411.405 5.785 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)o1 587266248 XSRFXWSEXLUQPJ-UHFFFAOYSA-N 418.634 5.814 5 1 HKBF O=[N+]([O-])c1ccc(C[n+]2ccc(-c3cc4cc(Br)ccc4o3)cc2)cc1 299844723 VPSRFNKWDPIPLH-UHFFFAOYSA-N 410.247 5.106 5 1 HKBF CN(C)CCOc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299854587 ACMHWXUNXHLIDZ-FMIVXFBMSA-N 403.913 5.547 5 1 HKBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Br)cc1F 587645650 GFIDQFGWSDINQV-UHFFFAOYSA-N 405.267 5.866 5 1 HKBF Cc1ccc2[nH]c3ccccc3c(=Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1 653704582 DWEIKWRGOCAUOQ-UHFFFAOYSA-N 418.500 6.506 5 1 HKBF CCCCS(=O)(=O)Nc1ccc(N=c2c3ccccc3n(C)c3ccccc23)cc1 377853473 LOPLQKSFJHWREY-UHFFFAOYSA-N 419.550 5.106 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330917 CIRTVUVENQJPFL-FYYLOGMGSA-N 407.397 5.022 5 1 HKBF CC(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746732 KVKAEIOSAFHUIY-WLRWDXFRSA-N 407.283 5.243 5 1 HKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1CCCc1ccc(Cl)c(Cl)c1 587943162 OKTWEFKDOIZTBW-CYBMUJFWSA-N 415.317 5.563 5 1 HKBF Cc1ccc2nc(NCCCNC(=O)Nc3ccccc3)c3c4ccccc4[nH]c3c2c1 169348184 PVALDQWSLWMPOV-UHFFFAOYSA-N 423.520 5.801 5 1 HKBF Cc1ccc2c3c(cc(Cc4c([N+](=O)[O-])ccc(F)c4F)nc13)-c1ccccc1C2=O 586995022 HKYWXKAOCJIDNN-UHFFFAOYSA-N 416.383 5.532 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587108941 DBKYJEONALOCAM-UHFFFAOYSA-N 421.378 6.387 5 1 HKBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc(-c2ccc(F)cc2)n1C 587165742 BQDDGBRXEPYZEL-UHFFFAOYSA-N 407.452 5.779 5 1 HKBF COc1cccc(-c2cc(CCc3ccccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362316 HBLOSGQZQPYXOV-UHFFFAOYSA-N 424.456 6.350 5 1 HKBF COC(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC 2356684678 UNTSJRBZLAUZBX-UHFFFAOYSA-N 408.538 5.899 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13660412 POLIZZOEMWOPFO-FQEVSTJZSA-N 413.886 5.720 5 3 HKBF COc1ccc(C(=O)OCc2ccc3nc4ccc(OC)cc4c(Cl)c3c2)cc1 58548327 HWBBGDQLNMKQQV-UHFFFAOYSA-N 407.853 5.416 5 1 HKBF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 169315205 ANLHBKWHZRLXRB-DKNHENDCSA-N 407.513 5.623 5 1 HKBF CC(C)CCOc1ccc(Br)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586981709 MDSIRDDVRHPWNX-UHFFFAOYSA-N 404.264 5.326 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl 587048482 WHQFAUJDBZKSBE-DUXPYHPUSA-N 413.058 5.711 5 1 HKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2cccc(OC)c2)c1 587926782 NRTVZGVOAGICHA-MRXNPFEDSA-N 410.470 5.288 5 1 HKBF CCCCNC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1772620009 VYVDFHQPCAELPI-UHFFFAOYSA-N 410.499 5.615 5 1 HKBF COc1cc2[nH]c3cc(Nc4cccc(OC(F)(F)F)c4)ccc3c(=O)c2cc1F 1911574490 XLWICPCLLCAQJJ-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587073802 ONJUGOJEHJKKSY-NBVRZTHBSA-N 403.869 6.298 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)O2 587376522 SDDBRBNIMCFOPH-JOCHJYFZSA-N 408.841 5.048 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587470219 JNEYPEWQXBZGHR-DEOSSOPVSA-N 403.434 5.162 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587751237 LQNGPXIPYZXHPE-JJTTUIIDSA-N 417.278 5.341 5 1 HKBF CN1CCc2c(Br)cccc2[C@@H]1c1c2ccccc2nc2ccccc12 963280224 NZVHEZDZQBCRMJ-HSZRJFAPSA-N 403.323 5.728 5 1 HKBF COc1ccccc1-n1cc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)nn1 1857535505 FMVQKACKTVJPRA-UHFFFAOYSA-N 404.451 5.002 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc5cc6ccccc6cc5c4)nc13)-c1ccccc1C2=O 587099382 GTVAVOJKISBRCI-UHFFFAOYSA-N 421.499 7.728 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2nc2ccccc12 587588008 RATZYJWYNQIZNI-SHQCIBLASA-N 419.436 5.797 5 1 HKBF O=C(c1cccc(C(F)(F)F)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646566 VDBYDYNSNYJVFK-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF COc1cccc(-c2cc(O)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587933804 VOMFIVLCDDIHBM-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF CCCCCN(CCCCC)c1nc(O)c2c(ccc3c4ccccc4sc32)n1 1857615508 SFPUZNHYCXQHJY-UHFFFAOYSA-N 407.583 6.890 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc3cc4cccnc4c(Cl)c3n2C2CCCCC2)cc1 73220625 PWTWXEGNCAKJMA-UHFFFAOYSA-N 406.873 6.318 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2ccc(Cl)cc12 169338501 PPQUYMLWJIPCGF-IERDGZPVSA-N 407.863 6.231 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587051976 WQQMNTHGOOTMQA-UONOGXRCSA-N 405.288 6.237 5 1 HKBF COc1cc(OCc2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1[N+](=O)[O-] 587262488 UVOAXSLKEBLKKQ-UHFFFAOYSA-N 407.451 5.210 5 1 HKBF CCOC(=O)c1[nH]c2ccc([C@@H](C)CC)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587642066 JDOPKJRECTYGNZ-ZDUSSCGKSA-N 424.453 5.011 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 13660409 POLIZZOEMWOPFO-HXUWFJFHSA-N 413.886 5.720 5 3 HKBF CCCCOc1ccc2c3cc[n+]4nc(C)c(C)cc4c3n(C(=O)OC(C)(C)C)c2c1 26578042 QADIGZLXGODUQL-UHFFFAOYSA-N 420.533 5.507 5 1 HKBF O=[N+]([O-])c1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)cc2Cl)n2ccnc2)cc1 27417832 KPLVYZXXTSLABZ-FQEVSTJZSA-N 413.264 5.731 5 1 HKBF COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC=C(C)C)C=CC(C)(C)O4 95098912 NQCUREXNKMUQPH-UHFFFAOYSA-N 422.477 5.449 5 1 HKBF biogenic,in-vitro C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963097563 GTUYRCALZKFGJL-XZLZDHACSA-N 416.496 5.802 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068467 ALYCYDXVSZNXRO-SIKCBANDSA-N 402.281 6.144 5 1 HKBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332162 FLEWUQKDEMZCAO-GMAHTHKFSA-N 407.397 5.104 5 1 HKBF O=c1c(-c2nc3ccccc3c3ccccc3c2=O)nc2ccccc2c2ccccc12 1660937 YKYZLIJAYCKHLR-UHFFFAOYSA-N 412.448 5.477 5 1 HKBF O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccccc2)nn1-c1ccccc1 13704470 RXGKEAWLRDYIJZ-DTQAZKPQSA-N 410.433 5.099 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2cc(Cl)ccc12 169338893 GMQCRCQFZXYBMW-XMMPIXPASA-N 418.408 7.235 5 1 HKBF CC(=O)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1 1857550201 AUYMGFBGOAOJJN-GOSISDBHSA-N 424.909 6.161 5 1 HKBF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13830645 JCFITQHCTOJUNS-FXSWLTOZSA-N 424.500 5.654 5 1 HKBF NCCCCCCc1ccc(/N=c2\c3ccccc3[nH]c3cc([N+](=O)[O-])ccc23)cc1 26935764 OPLLWEDDJOEFCK-UHFFFAOYSA-N 414.509 5.523 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1F 587060692 RRNVJSDVRIWDHX-UHFFFAOYSA-N 418.815 6.146 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cc1ccc4cccc5ccc3c1c45)O2 587409026 TWMYFMSRJPPWSF-LJAQVGFWSA-N 417.508 6.672 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccccc3[N+](=O)[O-])c2c1 587641819 HOYJYZNDYQYGHA-INIZCTEOSA-N 400.478 6.932 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccccc12 169339593 YWFPVPCELFQUFM-XMMPIXPASA-N 417.515 6.947 5 1 HKBF CC(=O)Oc1cc(O)cc2oc3ccc(OC/C=C(/C)CCC=C(C)C)cc3c(=O)c12 209946044 WCLSIYZEDUYDKO-YBEGLDIGSA-N 422.477 5.649 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587263385 MHHRNYHTFYGWKR-ZDUSSCGKSA-N 411.458 5.120 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587498619 FFCXBELCOJBSQB-JOCHJYFZSA-N 423.852 6.094 5 1 HKBF CC=CC=CC=CC=CC=CC=CC=C[C@H](O)CC(=O)CC=C1CC=C(O)[C@H](OC)C1 2356332226 BBWMWTAADBLZSI-RPLLCQBOSA-N 422.565 5.787 5 1 HKBF c1cc(C[N+]23CCC(CC2)CC3)cc(-c2cccc(C[N+]34CCC(CC3)CC4)c2)c1 71341912 UIHMPKAPVFKAFT-UHFFFAOYSA-N 402.626 5.615 5 1 HKBF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587074197 SGHRGDJJMAVYIO-UHFFFAOYSA-N 420.903 6.955 5 1 HKBF CC(C)(C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2nc3ccccc3o2)cc1 587649092 PJLAIMKLEIKLNE-UHFFFAOYSA-N 411.461 6.849 5 1 HKBF C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccccc1 13812771 IHZUPFWCAHBWBI-UHFFFAOYSA-N 410.006 6.609 5 1 HKBF O=[N+]([O-])c1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)cc2Cl)n2ccnc2)cc1 27417828 KPLVYZXXTSLABZ-HXUWFJFHSA-N 413.264 5.731 5 1 HKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCCC[C@H]1C3 95575135 GAOHSXASJQVKRS-INIZCTEOSA-N 421.537 5.328 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101115735 USMUDLPXXBPJQV-DRSNIGMVSA-O 418.388 6.011 5 1 HKBF Cn1c2c3ccccc3nc-2c(Nc2ccc(N3CCCCC3)cc2)c2ccccc21 169729270 FXZUBELFLNPLPZ-UHFFFAOYSA-N 406.533 6.565 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587071979 OFLQKORUJDARPY-HMPIOBDVSA-N 403.269 5.539 5 1 HKBF Cc1ccc2c3c(cc([C@@H](C)Cc4ccccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587099088 XDPLNNUCOUIHGB-INIZCTEOSA-N 408.457 6.009 5 1 HKBF O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644943 GGPPOKDKQXJWAC-UHFFFAOYSA-N 402.250 5.100 5 1 HKBF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 82163856 SIYWCAMZWUAFLE-UHFFFAOYSA-N 415.453 5.244 5 1 HKBF O=[N+]([O-])c1cccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 103276128 IFPSMIWBFPNEMM-ZDCXKQOISA-N 417.468 6.186 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Cl 587064955 QUBHNVZHROESMP-UHFFFAOYSA-N 404.209 5.617 5 1 HKBF Nc1ccc(-c2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)cc1N 587269557 FUJSOJNKZPHPQK-UHFFFAOYSA-N 422.448 5.032 5 1 HKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587337616 BTLSLLLLPAXKEQ-UPVQGACJSA-N 419.408 5.030 5 1 HKBF COc1ccccc1NC(=O)c1cc(N(C)C)ccc1Sc1ccc([N+](=O)[O-])cc1 1772570919 PJZZWYNIGJUAKF-UHFFFAOYSA-N 423.494 5.073 5 1 HKBF CCC1(CC)CC(C)(C)c2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc2O1 1857769635 YRGJPHJBPUHZOB-UHFFFAOYSA-N 413.543 6.023 5 1 HKBF Cc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587340967 XIODCLKLQNJLOP-VWNXMTODSA-N 421.424 5.108 5 1 HKBF CC(C)CN(C)c1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174256 XHJDMLWWPLHSTJ-UHFFFAOYSA-N 419.510 5.421 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(F)cc(Br)c2[nH]1 586968263 ASWDHLAZIVDIKO-UHFFFAOYSA-N 424.295 5.788 5 1 HKBF CC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332165 FLEWUQKDEMZCAO-JTHBVZDNSA-N 407.397 5.104 5 1 HKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2NCCc3c2sc(C)c3C)cc1 963016761 ZYBCVQYZXZCOCX-OAQYLSRUSA-N 410.564 5.968 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174198 BVQVAEGFZMYQQN-BFUOFWGJSA-N 407.474 5.314 5 1 HKBF Nc1c2c(nc3c1[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc4ccccc4c1O3)CCCC2 95562654 SDDWKMVNUHSMAD-JOCHJYFZSA-N 423.472 5.890 5 1 HKBF COc1ccc(Cl)c(-c2ccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc2F)c1 587143253 OHZLRBGVQPJMRF-UHFFFAOYSA-N 411.820 5.915 5 1 HKBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587241998 LBPUHCWQCUFDCB-UHFFFAOYSA-N 409.493 5.701 5 1 HKBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Oc2ccc(Cl)cc2)cc1 1857552403 SHGPJGMJLUSLTH-UHFFFAOYSA-N 400.818 5.299 5 1 HKBF C[N@+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 254216450 JDISIZOQMXKSRK-JPYJTQIMSA-N 400.365 5.676 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl 587048872 ZPSKHZVNQDEKIM-DUXPYHPUSA-N 414.593 5.336 5 1 HKBF FC(F)(F)Oc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)n[nH]c2c1 587126417 APMBTRMIJLBXQJ-UHFFFAOYSA-N 418.378 6.311 5 1 HKBF C[N+](C)(C)c1cccc(-c2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc3c2)c1 95598640 VBDZZRSKVTUFQS-UHFFFAOYSA-N 406.471 7.389 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3ccc(O)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587039577 YWNKKLRENXGEBA-UHFFFAOYSA-N 420.475 5.605 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2=O 587494141 JNDDWTLXUMDQNR-IBGZPJMESA-N 410.451 5.083 5 1 HKBF O=c1c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2[nH]c2cc(F)cc(F)c12 1911582035 YHRXLGRRBVHUHV-UHFFFAOYSA-N 405.322 5.557 5 1 HKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1cccc([N+](=O)[O-])c1 58569169 PJORDFGWPUGYAK-UHFFFAOYSA-N 424.497 5.391 5 1 HKBF COc1ccc([C@H]2NCCc3c2sc(C)c3C)cc1COc1cccc([N+](=O)[O-])c1 963011247 OTPQKRZKXKQSHI-JOCHJYFZSA-N 424.522 5.096 5 1 HKBF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(/C)CO)C(C)(C)CCC1 936070122 YKSARTKNUYWHKA-SPVXFBBWSA-N 418.665 8.515 5 1 HKBF in-vitro O=C1[C@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2ccccc2c2ccccc12 29312453 BTLGACBKCLNSIZ-WUFINQPMSA-N 415.492 6.529 5 1 HKBF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1 40915078 RLTJNBCQLHBGQR-JOCHJYFZSA-N 411.417 5.057 5 1 HKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2=O 587493915 IXVYJAPGBRWTHK-QHCPKHFHSA-N 423.490 5.862 5 1 HKBF O=C1C[C@@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587513772 ULLBBKYGTAQDSD-SANMLTNESA-N 413.473 5.577 5 1 HKBF CC(C)(C)c1cccc(N2CCC3(CCN(Cc4ccc([N+](=O)[O-])o4)CC3)CC2)c1 1857756720 FFQNCJSKFHMSHN-UHFFFAOYSA-N 411.546 5.368 5 1 HKBF O=C(c1c(Nc2cc(F)cc(F)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84597130 MERJYIQNYJNUMR-UHFFFAOYSA-N 419.771 5.117 5 1 HKBF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2[N+](=O)[O-])nn1 84759624 RTFAQHPLMVVSBP-CQSZACIVSA-N 400.463 5.831 5 1 HKBF Nc1sc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 103143216 PKGWITUTYGKPPQ-UHFFFAOYSA-N 413.886 5.118 5 1 HKBF O=[N+]([O-])c1cncc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060592 PLGLAXDSJZHYNB-UHFFFAOYSA-N 401.813 5.402 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)cc1 587272530 UNQYVBFGBKGAMF-UHFFFAOYSA-N 423.428 6.723 5 1 HKBF COc1cc(O)cc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587930376 ANFXNIUDPYXZKF-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF O=[N+]([O-])c1cccc([C@@]2(c3ccc(F)cc3)NCCc3c(Cl)cc(Cl)cc32)c1 963103838 GTYIDUDWQWCWHU-OAQYLSRUSA-N 417.267 5.478 5 1 HKBF O[C@H](C[N+]12CCC(CC1)CC2)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12 169339571 PWAXTEBYLFIHGL-FROPWYTASA-N 401.357 5.964 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587071977 OFLQKORUJDARPY-DPXMASKKSA-N 403.269 5.539 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)CC2=O 587470279 JWYARFJYLWLMGY-HSZRJFAPSA-N 403.434 5.626 5 1 HKBF CCCN(CCC)CCOc1ccc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c1 1857558548 FDVDUPWIVUYSSR-UHFFFAOYSA-N 406.448 5.201 5 1 HKBF CC1=C[C@H](CN2CCCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356837467 DQJXTJPEMBLODS-VWPQPMDRSA-N 424.545 5.138 5 1 HKBF Cc1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1[N+](=O)[O-] 586977223 ZRUPBFMQHPCIRF-UHFFFAOYSA-N 401.047 5.516 5 1 HKBF CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc([N+](=O)[O-])ccc4[C@H]3CC[C@]12C)C(C)C 58487127 HBVRHANVCCOVBW-ABMICEGHSA-N 412.574 5.713 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2oc2ccc(OC)cc12 95572403 DTRWEVKUJUKENI-KRWDZBQOSA-N 405.542 6.017 5 1 HKBF CC(C)/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1cccnc1 95576326 HKRJHCHOHVOQOU-WEMUOSSPSA-N 405.505 5.578 5 1 HKBF Cc1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1[N+](=O)[O-] 587069053 CWOOVFAEJOTNNZ-YFHOEESVSA-N 419.868 6.182 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)o1 587264234 DJVARHIPNALHFC-UHFFFAOYSA-N 405.357 6.010 5 1 HKBF O=c1c(-c2ccccc2F)coc2cc3occ(-c4ccccc4F)c(=O)c3c(O)c12 653905299 ZBAMSNWXMSEMEK-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF CC/C=C\C/C=C\CC/C=C\CC/C=C\CCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 40164497 UQCYGYDOQKYSDD-CKSNMGNXSA-O 420.614 5.445 5 1 HKBF endogenous,in-man CC[C@H](C)N1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95571801 HLEVHFFBQDVIIZ-HNNXBMFYSA-N 409.526 5.184 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587469250 YWXJGELKJKBETC-DEOSSOPVSA-N 421.424 5.301 5 1 HKBF CCOc1ccccc1-c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587779590 AZGLFCAGHNICKN-UHFFFAOYSA-N 416.484 6.392 5 1 HKBF CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@H]1OCCCO 95584768 NWKKJZOZYUACLY-PUHSMXRQSA-N 413.517 5.704 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337883 BWQBSWVZLDQIPD-YWZLYKJASA-N 408.756 6.519 5 1 HKBF O=c1oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2c2ccccc12 221984695 UOZWFKWFCFYMHT-UHFFFAOYSA-N 413.517 5.280 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587013153 XWRQTSSUBFUMBI-UHFFFAOYSA-N 415.818 5.132 5 1 HKBF Fc1c(F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c(F)c1S 587135407 ZEJJBVRINUDWHO-UHFFFAOYSA-N 400.360 5.171 5 1 HKBF CCOC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272357 QZLIVOSITWRTNI-UHFFFAOYSA-N 403.394 5.107 5 1 HKBF c1cnc2c(c1)c1nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c1c1cccnc12 587016787 CCHRDLXOXKOKIJ-UHFFFAOYSA-N 421.485 5.385 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl 587047478 INHDFYPJLXMCPP-DUXPYHPUSA-N 402.159 5.967 5 1 HKBF CC(C)[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197622 KWZKGYZURQTFEE-HXUWFJFHSA-N 405.502 5.223 5 1 HKBF CCOc1ccccc1-c1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587780347 QOGBJSFTZHFUTN-UHFFFAOYSA-N 404.382 5.112 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1ccc(Cl)c2cc3cccc(Cl)c3cc12 169336087 XUIYUEVSQFHUNK-DEOSSOPVSA-N 418.408 7.235 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337948 UTOLDRWVHYTLAN-MGPUTAFESA-N 408.756 6.519 5 1 HKBF CCCCCCOc1ccc(Br)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586981737 NISHYNUJNACKNZ-UHFFFAOYSA-N 418.291 5.860 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082483 PMZXIBBWYIVQNG-UHFFFAOYSA-N 401.813 5.402 5 1 HKBF Fc1cc(F)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 587135739 CFPJHRMZYVOIAK-UHFFFAOYSA-N 409.233 6.577 5 1 HKBF O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587159850 VZOIEGYSDUONFU-IBGZPJMESA-N 415.783 5.571 5 1 HKBF c1ccc(CNc2ncccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587229960 NGBIRBPZVPPGRJ-UHFFFAOYSA-N 400.485 6.543 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl 587783962 KCBIGWQWYHVDMO-FLIBITNWSA-N 405.841 5.874 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12 169333883 WNOUKWQFGLKTOD-NLFFAJNJSA-N 416.952 6.274 5 1 HKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586982502 LENKZYWMWCITMR-CYBMUJFWSA-N 403.280 5.001 5 1 HKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C)N1 962939489 BMRNIETUCJDDKA-UPCLLVRISA-N 400.482 5.189 5 1 HKBF O[C@H](CNC1CCCCC1)c1cc2ccccc2c2cc(OC(F)(F)F)ccc12 169339421 FDCLUURVRVOLEO-JOCHJYFZSA-N 403.444 5.847 5 1 HKBF Cc1c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980186 QDKWQYXLRXCGSF-UHFFFAOYSA-N 402.582 5.141 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(C(F)(F)F)cc3)c2c1 653711586 ULZYXUXRMLPRDP-UHFFFAOYSA-N 416.830 6.103 5 1 HKBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c12 45391038 OTQAKMXMRGOUFP-IRXDYDNUSA-N 422.527 5.088 5 1 HKBF Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(-c2nc3ccccc3o2)c1O 95585595 YKJMTIFQHRZHJK-UHFFFAOYSA-N 423.812 5.323 5 1 HKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511792 ISOCELVWPIQUJZ-QHCPKHFHSA-N 419.433 5.449 5 1 HKBF O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646158 VXIKAGXQVGKOPX-SFHVURJKSA-N 424.815 5.752 5 1 HKBF COc1ccc2c(c1)[C@H](c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)o1)N(C(C)C)CC2 962087481 FDFNSTRNJOHROU-XMMPIXPASA-N 406.482 5.528 5 1 HKBF CC(C)(C)c1ccc(N2CCC3(CCN(Cc4ccc([N+](=O)[O-])o4)CC3)CC2)cc1 1857641990 PFFUJSJGXBNBOO-UHFFFAOYSA-N 411.546 5.368 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccccc2c2cc(C(F)(F)F)ccc12 169339475 UZXHUFUOZJXBAK-XMMPIXPASA-N 417.515 6.947 5 1 HKBF Nc1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(-c2ccccc2Cl)n1 587060624 KLKWOBUZFZHNHC-UHFFFAOYSA-N 421.891 6.229 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1c3ccccc3c(Cl)c3ccccc13)CC2=O 587462926 RMZVGTYYRKQUAZ-HSZRJFAPSA-N 416.904 7.011 5 1 HKBF CCN(CC)C(=S)S[C@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 49802748 QZRHSIIGCWAZSB-LJQANCHMSA-N 402.541 5.269 5 1 HKBF O=c1c2ccccc2c2ccccc2c(=O)n1-c1c(Cl)cc(Cl)cc1Cl 98083403 UIWJWZHUCVXDPI-UHFFFAOYSA-N 402.664 5.464 5 1 HKBF O=S(=O)(Nc1ccc(Cc2c3ccccc3nc3ccccc23)cc1)c1ccccc1 169347085 NJOSDXPKIIDOSQ-UHFFFAOYSA-N 424.525 5.780 5 1 HKBF c1cnc2c(c1)c1nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c1c1cccnc12 587031986 DORKGKKEXORIPN-UHFFFAOYSA-N 407.502 5.667 5 1 HKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])ccc3N)nc3c2oc2ccccc23)c1 587363105 PBUYCFWUARRYEV-UHFFFAOYSA-N 411.417 5.814 5 1 HKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCC 4214425 AZXBVHJRHKMVAJ-OALUTQOASA-N 409.914 5.178 5 1 HKBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587160008 BSULZYVOHTZEQT-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587454262 XONJVOVZPCBHKE-SBUREZEXSA-N 419.458 5.243 5 1 HKBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587510551 BBRVFQSVCJSBDT-HSZRJFAPSA-N 406.482 5.170 5 1 HKBF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc([N+](=O)[O-])c2)n1 45319409 QMJQHTTXRJIVJD-UHFFFAOYSA-N 413.865 5.375 5 1 HKBF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)[N+](C)(C)C 255214414 GZSAKRZKIDBCQL-NECKQZKDSA-N 404.727 5.815 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587386570 ZWIVVOVKNNYDEJ-FQEVSTJZSA-N 424.453 5.482 5 1 HKBF Cc1ccc([N+](=O)[O-])cc1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772605873 KBSSIZKQSOHWSE-UHFFFAOYSA-N 413.441 5.319 5 1 HKBF O=c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc2c1ccc1ccccc12 1772657265 FWCZATWGUNYWSC-UHFFFAOYSA-N 408.297 6.651 5 1 HKBF Clc1ccc2oc3nc4ccccc4c-3c(NCCc3c[nH]c4ccccc34)c2c1 95575970 BLDRGELYULADDU-UHFFFAOYSA-N 411.892 6.875 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(F)c(Br)c2[nH]1 586969231 PHDFVZJQSPTLEX-UHFFFAOYSA-N 424.295 5.788 5 1 HKBF Cc1cc(Br)ccc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 586981658 SABOXENHFNVYIO-UHFFFAOYSA-N 419.282 5.309 5 1 HKBF COc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(F)cc1[N+](=O)[O-] 586997315 XBLBXJJCHQGGDO-UHFFFAOYSA-N 414.392 5.478 5 1 HKBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587646092 SWFMPIOCQAUUHG-UHFFFAOYSA-N 421.384 5.678 5 1 HKBF CN(C)c1ccccc1NC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857579244 VWSVCICTOUNQDY-UHFFFAOYSA-N 418.500 6.274 5 1 HKBF CCN(CC)CCNc1ccc2oc3ccccc3c3c2c1cn3CCN(CC)CC 40567319 IFYRWAROMSHSES-UHFFFAOYSA-N 420.601 5.636 5 1 HKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)NC[C@@H]1CC[N@@+]2(C)CCCC[C@H]12 253761177 UMAWGIQJLCNKLK-FYBPTUESSA-O 401.659 5.931 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068463 ALYCYDXVSZNXRO-FOFINAFOSA-N 402.281 6.144 5 1 HKBF COc1ccc2c(CN3CCC(C(F)(F)F)CC3)cc3cc4c(cc3c2c1)OCO4 43069171 ANULFHHFRQTZKY-UHFFFAOYSA-N 417.427 5.505 5 1 HKBF C(=C/c1ccccc1Oc1ccccc1)\c1nc2c3cccnc3c3ncccc3c2[nH]1 587951407 ZNPFEJWJRXVWFY-CCEZHUSRSA-N 414.468 6.622 5 1 HKBF COc1ccc2nc3cc(Cl)ccc3c(NC3CC(C)(C)N([O])C(C)(C)C3)c2n1 104955551 YJUNHVRYDKSMSY-UHFFFAOYSA-N 413.929 5.224 5 1 HKBF c1ccc2nc3cc4[nH]c(-c5csc(-c6ccc7c(c6)CCO7)n5)nc4cc3nc2c1 587017547 NDOYUCJCMWJKMH-UHFFFAOYSA-N 421.485 5.385 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750425 IBWQOFUKXPCWBM-WLRWDXFRSA-N 415.262 5.273 5 1 HKBF COc1cc(C[C@H](O)c2ccc(-c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])cc1OC 653708491 QBQMTSSRBGPJFF-FQEVSTJZSA-N 413.857 5.209 5 1 HKBF Cn1c2ccccc2c(=Nc2ccc(OC(F)(F)F)cc2)c2oc3ccccc3c21 1772633021 BJLIPUUXISMLQN-UHFFFAOYSA-N 408.379 6.209 5 1 HKBF C[C@@H](CN(C)C)c1ccc(-c2c(O)cc(Cl)c3nc(O)c4ccccc4c23)cc1 1857587199 DBMREWDQQVOITC-AWEZNQCLSA-N 406.913 5.785 5 1 HKBF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 40422388 YJHSJYXTSHRYSR-LHFJYWTJSA-N 415.578 6.632 5 1 HKBF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2[N+](=O)[O-])c1 653738998 ICRWYBVAQXMORK-HNNXBMFYSA-N 414.458 5.119 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc([N+](=O)[O-])c1 587136468 IBIBYWHQIPSVBC-UHFFFAOYSA-N 405.385 5.024 5 1 HKBF Cc1c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] 587260750 CDLPAPCXKXGFPK-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF C[C@]1(c2cc(Br)cc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503458 OELNWQDXLMJGQC-HXUWFJFHSA-N 416.271 5.117 5 1 HKBF O=[N+]([O-])c1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1Br 962658451 CPPHYPQNIMUAKN-OAQYLSRUSA-N 409.283 5.259 5 1 HKBF O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 1485608 WZUCQBMKDJKGLW-UHFFFAOYSA-N 409.445 5.272 5 1 HKBF O=[N+]([O-])c1ccc(SC(=S)N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 95572007 WEGSDCOCXNCVJZ-UHFFFAOYSA-N 423.560 5.847 5 1 HKBF COc1cccc(CN(C)CCCCOc2ccc3c(c2)oc(=O)c2ccccc23)c1 221987837 XLWGGHNMHFSNAQ-UHFFFAOYSA-N 417.505 5.246 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)CC2=O 587472321 GPKOLVUDVXWHSA-DEOSSOPVSA-N 403.434 5.162 5 1 HKBF COc1cc2[nH]c3ccc(Nc4cccc(OC(F)(F)F)c4)cc3c(=O)c2cc1F 1911582244 QGEMXGIHZTVQNM-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF Cc1ccccc1-n1c(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n[nH]c1=S 49115587 HKPDPRGSMWQPHV-UHFFFAOYSA-N 410.484 5.014 5 1 HKBF Nc1c2c(nc3c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc4ccccc4c1O3)CCCC2 95562655 SDDWKMVNUHSMAD-QFIPXVFZSA-N 423.472 5.890 5 1 HKBF CC[C@H]1C[N@+]2([O-])CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 299854605 AGLGJFNSMGBVNR-ZHRLNQRSSA-N 418.537 5.077 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1)O2 587383778 GJUXMYCEIOEWBA-HXUWFJFHSA-N 424.453 5.482 5 1 HKBF CC(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C/C=C(\C)CCC=C(C)C 936069847 FPSYVUBUILNSRF-WYMCJIHHSA-N 402.666 9.709 5 1 HKBF in-vitro COc1cc2c(cc1OC)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)N(C)[C@H](C)C2 962571884 PEIJZEHAZYBHTJ-QKFKETGDSA-N 424.522 5.306 5 1 HKBF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc2ccc3cccc4ccc1c2c34 963029500 DCMDKMFFXPWUNG-GDLZYMKVSA-N 414.508 6.376 5 1 HKBF CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2482395 GIGYVFKHQLLUSL-UHFFFAOYSA-N 417.824 5.239 5 1 HKBF CC(C)=CCOc1c(C)cc2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2c1CO 14827610 JZHBEPYIKRDWBE-UHFFFAOYSA-N 408.494 5.306 5 1 HKBF biogenic,in-vitro C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1CCCCC1 27861308 NFYMZGRQOFUIMU-UHFFFAOYSA-O 418.579 6.228 5 1 HKBF O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1O 29212191 STXDZLMGCKJLQE-UHFFFAOYSA-N 419.220 5.652 5 1 HKBF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccc5cccc6ccc1c4c56)CN32 100812967 ANLHBKWHZRLXRB-FOHNPLFQSA-N 407.513 5.623 5 1 HKBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2N1 587126465 XFPNMAJTUVRPMV-KPZWWZAWSA-N 421.426 6.040 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)cc1 587271398 BMAWCNBLFMNFFJ-UHFFFAOYSA-N 415.327 5.829 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330922 CIRTVUVENQJPFL-JTHBVZDNSA-N 407.397 5.022 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587386571 ZWIVVOVKNNYDEJ-HXUWFJFHSA-N 424.453 5.482 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)CC2=O 587468199 BXIAFEPYNHRMNH-JOCHJYFZSA-N 423.421 5.131 5 1 HKBF O=[N+]([O-])c1ccccc1-c1onc(-c2ccccc2Br)c1Br 206038565 RTCFMIIDRBPFEA-UHFFFAOYSA-N 424.048 5.442 5 3 HKBF CCN(CC)CCCNc1ccc2c(ccc3c4cc(OC)c(OC)cc4cnc23)n1 49803870 ZYSGADGZUVUMPE-UHFFFAOYSA-N 418.541 5.097 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587751243 LQNGPXIPYZXHPE-WTKUISIGSA-N 417.278 5.341 5 1 HKBF CC(C)=CCc1cc(C(C)C)c(O)c2oc3c4c(cc(O)c3c(=O)c12)OC(C)(C)C=C4 1772585679 JXLLLAOCMCIKAG-UHFFFAOYSA-N 420.505 6.174 5 1 HKBF CC(C)=CCOc1c(C)cc2oc3ccc(CC=C(C)C)c(O)c3c(=O)c2c1CO 13328039 MDBQNLFOBADTEY-UHFFFAOYSA-N 408.494 5.306 5 1 HKBF biogenic,in-vitro CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C 85552720 DFVGGGHKDAHYIU-UHMZJXMFSA-O 422.630 6.016 5 1 HKBF endogenous,in-man O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 104020969 BFZRRHJMIKJCII-NPMXOYFQSA-N 417.490 6.285 5 1 HKBF O=[N+]([O-])c1ccccc1-c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923125 POVUXZSAGUULPG-UHFFFAOYSA-N 415.449 6.673 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 587934506 BNOYLHIJTXVLBS-UHFFFAOYSA-N 402.457 6.002 5 1 HKBF Cc1ccc(CCCc2ccc(Nc3ccc([N+](=O)[O-])cc3C(=O)O)cc2)cc1C 40919247 GIZSAWVXDDFTQT-UHFFFAOYSA-N 404.466 5.829 5 1 HKBF O[C@H](C[C@H]1CC2CCN1CC2)c1cc2ccccc2c2cc(Br)ccc12 169338098 YAMWIWAUYHCSSU-WZONZLPQSA-N 410.355 5.663 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2ccc(Cl)cc12 169338498 PPQUYMLWJIPCGF-HRAATJIYSA-N 407.863 6.231 5 1 HKBF O=C(c1ccc(-c2nc3ccccc3s2)s1)c1coc2cc([N+](=O)[O-])ccc12 587279819 BTHGLIHOYVASSP-UHFFFAOYSA-N 406.444 5.910 5 1 HKBF CC/N=c1/cc2sc3cc(N(CC)CC)ccc3nc-2c2c([N+](=O)[O-])cccc12 103257732 FFZYROBYZBQYKR-QJOMJCCJSA-N 406.511 5.229 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc([N+](=O)[O-])c1 587135772 OBMIMSQKBNCEMT-UHFFFAOYSA-N 410.336 5.300 5 1 HKBF O=Cc1c2ccccc2c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587523469 JCQZQROWBJUMPJ-AREMUKBSSA-N 406.481 6.391 5 1 HKBF CC[C@@H]1CCCN1Cn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 40404181 GGURDXWSJAWMSB-OAHLLOKOSA-N 414.530 5.153 5 1 HKBF C/C=C(\C)C(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 96910858 XXJNWQJWTGMXFZ-QLKAYGNNSA-N 400.507 5.104 5 1 HKBF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587149933 OMVXFHORMBTAAK-VWLOTQADSA-N 419.463 6.000 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 587388771 GMFOUZHEXVXNOJ-QHCPKHFHSA-N 413.433 5.136 5 1 HKBF COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(O)cc(O)c3oc12 14727659 HNEVVGJOTZRWPZ-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF biogenic Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587151505 ZLBRSEALBBASBC-VWLOTQADSA-N 419.463 6.000 5 1 HKBF Cc1c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587261201 YJKLXLQZGAKCKO-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587269919 JESKJZRSNLYGSR-UHFFFAOYSA-N 414.181 5.038 5 1 HKBF O=C1C[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507885 CNJPWDMAIPQQRC-HSZRJFAPSA-N 406.482 5.170 5 1 HKBF O=c1c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2[nH]c2cc(F)cc(F)c12 1911575279 IMRPWEPEPUAGQM-UHFFFAOYSA-N 407.294 5.650 5 1 HKBF CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 147067691 GKMHSJYLRXLVRG-MTKQDQGOSA-N 418.665 8.514 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1 587071974 OFLQKORUJDARPY-BXVLCZGVSA-N 403.269 5.539 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)cc1 587271385 BIMZOLUTXABXHQ-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329783 APMSJEBCZPUWEZ-GGAORHGYSA-N 407.397 5.022 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587753602 VWNZPSSIWSVPCP-YUNKPMOVSA-N 421.310 5.224 5 1 HKBF C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857613414 GNFQGDSMFOLXHL-JTQLQIEISA-N 402.369 5.120 5 1 HKBF CC(=O)Nc1ccc(OC(=S)Nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 1857775151 ZTQJQXGSEABGAP-UHFFFAOYSA-N 423.450 5.121 5 1 HKBF C[N+](C)(C)c1cccc(C(=O)OCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)c1 26995654 NRFHAMMRDIPQKX-UHFFFAOYSA-N 424.521 5.164 5 1 HKBF COc1c(-c2cc(-c3ccccc3)n(-c3cccc([N+](=O)[O-])c3)n2)ccc2occc12 103278428 QMNRRISLUURICJ-UHFFFAOYSA-N 411.417 5.869 5 1 HKBF Nc1ccc(-c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1N 587048338 SSHNGWVZJAUYAW-KRXBUXKQSA-N 405.845 5.126 5 1 HKBF COc1cc2c(cc1OC)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)N(C)[C@@H](C)C2 962571880 PEIJZEHAZYBHTJ-LFVRLGFBSA-N 424.522 5.306 5 1 HKBF CCN(CC)CCn1nc2c3cccc(OC)c3oc3c4c(cc1c32)OC(C)(C)C=C4 26578514 CCXKYBWIEWBAHL-UHFFFAOYSA-N 419.525 5.470 5 1 HKBF CC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1c(=O)n3CC1CCCCC1 49070455 HOWBUBVXJWSSEV-UHFFFAOYSA-N 401.594 7.084 5 1 HKBF Cc1c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979977 LQNIVPXCFXLZMD-UHFFFAOYSA-N 401.047 5.516 5 1 HKBF CCCCCCOc1ccc(Br)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 586980971 CHMFGDJXPWHQPS-UHFFFAOYSA-N 419.279 5.255 5 1 HKBF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587194098 LFZMKQCLZCLQAH-HXUWFJFHSA-N 418.541 5.387 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(C(C)(C)C)c(Oc3ccc([N+](=O)[O-])cc3Cl)c2c1 587642756 VGDHQIKDPGTLRL-ZDUSSCGKSA-N 400.906 7.333 5 1 HKBF O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644704 BCXAWDDDASFGDS-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF O=C(c1ccc(C(F)(F)F)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646175 KXRJXVFJECRXSG-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 5893114 TWEGXMUDMUOBQW-RUZDIDTESA-N 413.477 5.573 5 1 HKBF O=[N+]([O-])c1cncc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 587051042 OJVFPULRKWRWMV-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF Clc1ccccc1-c1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587063301 SPLQNBRFJIAASS-UHFFFAOYSA-N 418.927 7.781 5 1 HKBF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646024 IDWAOCFZOMVDCG-UHFFFAOYSA-N 415.165 5.713 5 1 HKBF COc1ccc(C2=Cc3ccc(OC)cc3[C@@H](C[N+](=O)[O-])N2c2ccccc2)cc1 653801351 UENAYHAFSABETL-XMMPIXPASA-N 402.450 5.040 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc3cc4cccnc4c(Cl)c3n2CC2CCCCC2)cc1 653830135 NXPULCNSBKAYRL-UHFFFAOYSA-N 420.900 6.393 5 1 HKBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587048690 LKNUXYVPBNGEPO-UHFFFAOYSA-N 415.884 5.574 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)cc1 587271355 AZSQPGSJBNQBPB-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587645315 PJZSOZSEPITAON-UHFFFAOYSA-N 409.829 5.184 5 1 HKBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057055 RSFRKLZDXXYNGZ-UHFFFAOYSA-N 405.197 5.012 5 1 HKBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070006 OICYOQPGNQJBHM-CYBMUJFWSA-N 400.869 5.689 5 1 HKBF O=C(O)/C(=C/c1cc(OCc2ccsc2)ccc1[N+](=O)[O-])c1ccccc1Cl 13780358 NXWDMYKZQUXEBU-LICLKQGHSA-N 415.854 5.514 5 1 HKBF Cc1ccc(-n2c(Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)n[nH]c2=S)cc1 49113703 IBIKQBQOAQCOAI-UHFFFAOYSA-N 410.484 5.014 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1ccc2ccc3cccc(C(F)(F)F)c3c2c1 169337065 BKIKOTANLUWQRL-HSZRJFAPSA-N 417.515 6.947 5 1 HKBF COc1ccc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1O 587786722 PRDAKVRTKWTMJL-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF c1ccc(C[C@@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587954842 BDYWNMWWEJKHSC-QFIPXVFZSA-N 400.485 6.034 5 1 HKBF CC=CC=CC=CC=CC=CC=CC=C[C@@H](O)CC(=O)CC=C1CC=C(O)[C@@H](OC)C1 2356332228 BBWMWTAADBLZSI-SQHAQQRYSA-N 422.565 5.787 5 1 HKBF O=[N+]([O-])c1cnc(Nc2ccc3ccccc3c2)nc1Nc1ccc2ncsc2c1 64510607 KNOZEJVOTXNTIV-UHFFFAOYSA-N 414.450 5.635 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587074144 TZOSAQIMYUWRMG-SFQUDFHCSA-N 404.857 5.693 5 1 HKBF Cc1ccc2c3c(c4c(nc13)[C@H](Cc1ccccc1[N+](=O)[O-])CC4)-c1ccccc1C2=O 587097021 GPXQFGZSIFTUPN-KRWDZBQOSA-N 420.468 5.935 5 1 HKBF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587061752 JOMLOUIREMNMTD-LBPRGKRZSA-N 410.655 5.417 5 1 HKBF CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)C(C)C)cc1)c1ccccc1 58569011 YAWPGHRGMHCVQA-ZIADKAODSA-N 414.613 6.919 5 1 HKBF in-vivo Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163498 UIVBQKGAXFOOAE-ORAYPTAESA-N 423.542 5.783 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 587012489 YGZCMTPBPIZVFE-UHFFFAOYSA-N 408.464 5.633 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c12 587174735 RWPTZNXKPKAPDU-UHFFFAOYSA-N 409.602 5.174 5 1 HKBF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645537 YJDBQITUAAUPCQ-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF Cc1cc(OCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 2001050 RXYKWSCMJSIPQH-UHFFFAOYSA-N 423.961 6.099 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl 587047479 INHDFYPJLXMCPP-RQOWECAXSA-N 402.159 5.967 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc5c(ccc6ccccc65)c4)nc13)-c1ccccc1C2=O 587099678 RWOFOSBHOQYYHL-UHFFFAOYSA-N 421.499 7.728 5 1 HKBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Oc4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O 587431812 GYLQCLFZDDBFGG-RDPSFJRHSA-N 417.417 5.059 5 1 HKBF C[C@@]1(c2cc(Br)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587505766 VMCBQLCULYEJRW-FQEVSTJZSA-N 416.271 5.117 5 1 HKBF C[N+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 31871189 JDISIZOQMXKSRK-FKSKYRLFSA-N 400.365 5.676 5 1 HKBF O=C1C[C@H](c2ccc(Cl)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95585920 FFXWOAKRZXWYJW-OAQYLSRUSA-N 424.909 6.019 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Cl 587093658 PHXJPAFQQBSNIS-UHFFFAOYSA-N 409.673 5.829 5 1 HKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 587343701 USUPPIUEDUYVDP-VWNXMTODSA-N 419.408 5.030 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587843601 JDHQOXDVAVSTBL-ZIDLFYJRSA-N 419.703 5.009 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587846136 UCERIUWHHNDZQM-MLXNANBUSA-N 419.703 5.009 5 1 HKBF C[C@@H](Cc1ccccc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988037 WGPCTMKOZGIOAC-AWEZNQCLSA-N 410.429 5.406 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)cc2)cc1 962670505 RMJIBXKAELWBNB-MHZLTWQESA-N 422.484 6.289 5 1 HKBF CC[C@@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)c2c1 587641082 FCVCSFNHLCFPRW-MRXNPFEDSA-N 413.477 6.509 5 1 HKBF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2cccc([N+](=O)[O-])c12 587644459 DTYCVEQXALFRPR-UHFFFAOYSA-N 411.801 5.147 5 1 HKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccc(F)cc2)c2ccc(Cl)cc2Cl)cn1 66079358 CRTHYQKBIKJNIJ-KRWDZBQOSA-N 410.232 5.195 5 1 HKBF COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1C/C=C(\C)CCC=C(C)C 219198730 KQWYNILTPKLFDF-RIYZIHGNSA-N 410.466 5.307 5 1 HKBF CCC[C@@H](C)C(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 13660895 GJNGVHTUWDVCBR-LLVKDONJSA-N 410.455 5.387 5 3 HKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 14959377 IOCGTVRHMUHZQW-OAQYLSRUSA-N 414.549 5.133 5 1 HKBF O=c1c2c(OC[C@H]3CS3)cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c12 45367837 DUXFZXRFGYRKQM-HOTGVXAUSA-N 422.527 5.088 5 1 HKBF CC(C)(C)CC(C)(C)Nc1c(-c2cc3ccccc3c3ccccc23)nc2ccccn12 95562780 NUJWOMICOKYNBJ-UHFFFAOYSA-N 421.588 7.934 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc(Cl)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586991983 BXGVWTHRHUNDGJ-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF O=[N+]([O-])c1ccccc1Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 28817640 WUHRDMVWDBUIGW-UHFFFAOYSA-N 404.175 5.404 5 1 HKBF O=[N+]([O-])c1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1 29344387 UEFZKRWCBHMIDQ-LADGPHEKSA-N 402.494 5.064 5 1 HKBF Cc1[nH]c(C)c([N+](=O)[O-])c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 40395549 RUIQQNCBBBGBAT-UHFFFAOYSA-N 420.343 5.258 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82219922 DQEDKFYOYKTBOB-ORAYPTAESA-N 423.542 5.783 5 1 HKBF COc1ccc(-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)cc1OC 95560924 KAIROTVRQUNFMM-ZEQRLZLVSA-N 406.590 5.940 5 1 HKBF Cc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1[N+](=O)[O-] 587082006 CFFVCPHJIKNSTH-UHFFFAOYSA-N 414.852 6.315 5 1 HKBF O=C1C[C@@H](c2c3ccccc3c(Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 587499123 LFVRPAWCRSSSLQ-DEOSSOPVSA-N 412.916 7.232 5 1 HKBF CC(C)Oc1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Cl)cc1Cl 587943357 XTSXWBRHHJWQDP-UHFFFAOYSA-N 423.252 5.558 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1Cl)O2 587376523 SDDBRBNIMCFOPH-QFIPXVFZSA-N 408.841 5.048 5 1 HKBF Cc1cc2c(cc1F)[C@](c1c3ccccc3cc3ccccc13)(C(F)(F)F)NCC2 962303140 VFCUDWKYLVQZTL-DEOSSOPVSA-N 409.426 6.392 5 1 HKBF CCCCNCCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 40936887 JWBMFTQFAKYRRW-UHFFFAOYSA-N 410.518 5.084 5 1 HKBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2)c(Br)c1 587643467 FTZCIYUEYQYYSO-UHFFFAOYSA-N 423.266 6.181 5 1 HKBF O=[N+]([O-])C[C@@H](c1cccs1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)ccc12 1857570828 VBEHOVKBDIZCCF-INIZCTEOSA-N 416.424 6.324 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587047933 BXIYGXDSQILWFE-VXGBXAGGSA-N 405.288 6.237 5 1 HKBF O=C1/C(=C\c2ccccc2[N+](=O)[O-])c2ccccc2N1c1c(Cl)cccc1Cl 98083959 LPGHPWXIDYVYAK-QINSGFPZSA-N 411.244 6.121 5 1 HKBF CCCNCc1ccc2nc3ccc4cc5cc(CNCCC)ccc5nc4c3cc2c1 58660797 BAQHAHCFORIMOQ-UHFFFAOYSA-N 422.576 6.089 5 1 HKBF in-vitro O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCN2CC[C@H]3CCCC[C@H]3C2)cc1 299806747 PQZJCZJMUZVPSP-MOPGFXCFSA-N 423.513 5.091 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cc1 587272149 KRZMIXSXXNUGTQ-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(CCCCc3nc4ccccc4[nH]3)c12 587645023 HRAVCAPWXQSYCV-UHFFFAOYSA-N 402.376 5.537 5 1 HKBF CC1(C)CC(=O)c2cc([N+](=O)[O-])c(N[C@@H]3CC=C(c4ccc(F)cc4)CC3)nc2C1 28967937 VVQQXRIABZWWSQ-QGZVFWFLSA-N 409.461 5.332 5 1 HKBF COc1ccc2c(c1O)c(-c1ccccc1)[n+](C)c1c3cc4c(cc3ccc21)OCO4 100825578 FAJGVDZIVGMOHH-UHFFFAOYSA-O 410.449 5.081 5 1 HKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3cccnc3)c12 103299573 APXSUVTVOOSEAY-UHFFFAOYSA-N 421.503 7.613 5 1 HKBF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 169315197 ANLHBKWHZRLXRB-OUYQJINLSA-N 407.513 5.623 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1F 587047520 JVTHHIQEGCNMFW-UHFFFAOYSA-N 402.212 6.251 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)CC2=O 587472787 NADZFFFVVKYKKJ-QHCPKHFHSA-N 403.434 5.626 5 1 HKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533005 SWOVPHJSFHPRRD-DEOSSOPVSA-N 419.502 6.083 5 1 HKBF Clc1ccc(CN2CCC[C@@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587075248 GYAOXMFBSOWNOP-HSZRJFAPSA-N 413.912 5.650 5 1 HKBF O=c1c(-c2ccc(F)cc2)coc2c1c(O)cc1occ(-c3ccc(F)cc3)c(=O)c12 653884663 UTJUJHBINSTREQ-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 66251283 MDORVHLPLSMXSE-SFHVURJKSA-N 405.376 5.329 5 1 HKBF O=c1oc2ccccc2c2nc3c(c(-c4ccccc4)c12)CCC/C3=C\c1ccccc1 96932377 ITSLPPMXJYWVAI-DYTRJAOYSA-N 415.492 6.885 5 1 HKBF O=Cc1ccc(OCc2occc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586901647 VJTHRSGWURZGSM-UHFFFAOYSA-N 420.428 5.311 5 1 HKBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cnn1-c1ccc(Cl)cc1 587075536 HODVLWGSEJSGHE-UHFFFAOYSA-N 410.868 5.474 5 1 HKBF O=C1C[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)Oc2c1ccc1c2CCCC1 587507399 PSLIKUIPXGFPPM-JOCHJYFZSA-N 422.868 5.624 5 1 HKBF COc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc3cnc4ccccc4c23)cc1 1772636997 PNVMOKOMEKMMHR-UHFFFAOYSA-N 405.501 6.192 5 1 HKBF COc1cc(OC)c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 14727622 PGWGLEHDWSDHBH-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF biogenic,in-vitro O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587270470 YZQBIIRSWLYQJC-UHFFFAOYSA-N 414.465 5.317 5 1 HKBF COc1ccc([C@@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587937177 NTEZQOTUICSPCK-AREMUKBSSA-N 416.484 5.848 5 1 HKBF Clc1ccc(CN2CCC[C@@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587077620 UWCVCDWCXGOZLF-HSZRJFAPSA-N 411.936 6.860 5 1 HKBF Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644974 SMTLGNUAEBRNBV-FQEVSTJZSA-N 420.852 5.921 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586969695 VTXHGSBAYSFRSS-UHFFFAOYSA-N 413.396 6.044 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998489 KYTPOQNCAHYRST-JXMROGBWSA-N 410.227 5.664 5 1 HKBF Fc1ccc(/C=C(\c2nc3c4cccnc4c4ncccc4c3[nH]2)c2cccs2)cc1 587164935 ZMCSZENOZZNCEG-RGEXLXHISA-N 422.488 6.449 5 1 HKBF O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645338 QWTGJSMVQJCOKS-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1 587859566 FLTQDAWOCBHHOD-UHFFFAOYSA-N 420.252 5.161 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2=O 587493752 HQAMVBFUEJPNEN-IBGZPJMESA-N 409.463 5.688 5 1 HKBF C[C@@]1(c2ccc(Br)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587496954 BAZZPHDEZDWNMM-FQEVSTJZSA-N 416.271 5.117 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1cc(Cl)c1ccccc12 169334002 BFEWGFGGNURVKM-XIKOKIGWSA-N 408.851 5.626 5 1 HKBF Cc1ccc2c3c(cc(Cc4ccc(Cl)cc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586992462 GCCNYIQGTZAMIU-UHFFFAOYSA-N 414.848 5.907 5 1 HKBF CCCCCC/N=c1\ccc2nc3c(cc(Nc4ccccc4)c4ccccc43)oc-2c1 29058066 WGTXRKPHVCNQGN-XHLNEMQHSA-N 421.544 7.310 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)nc3ccc(O)c1c23 586991139 JOSWWNWXLUSYAR-UHFFFAOYSA-N 423.471 7.125 5 1 HKBF O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646176 KYOFQEDLWVBQCL-UHFFFAOYSA-N 423.375 5.597 5 1 HKBF Cn1cc2c(=O)c(OCc3ccccc3)ccc-2c2ccc3cc4c(cc3c21)OCO4 26381010 CLMDSCHNQXGHQC-UHFFFAOYSA-N 409.441 5.104 5 1 HKBF CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163794 DWBJMYIPTHMAAD-CYBMUJFWSA-N 405.483 5.539 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccc(C(F)(F)F)cc12 169339458 APMUIAUUVSIJRU-KKSFZXQISA-N 407.863 6.231 5 1 HKBF COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 474602422 BHTCXYKONZVALL-VJNONLRMSA-N 412.445 5.247 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1[N+](=O)[O-] 587051708 UCXFYEZXMBRUTM-UHFFFAOYSA-N 419.180 5.613 5 1 HKBF COc1cc(Cl)cc(C=O)c1OCc1nc2c3ccccc3c3ccccc3c2[nH]1 587067331 UZVUBBUIDINSJU-UHFFFAOYSA-N 416.864 5.923 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)O2 587379587 JLOFGJAQQRLIPI-NRFANRHFSA-N 424.840 5.638 5 1 HKBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3ccc4cccc2c4c13 587531365 ZKROYRUHBBTUKR-MUUNZHRXSA-N 404.465 5.929 5 1 HKBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3ccc4cccc2c4c13 587531366 ZKROYRUHBBTUKR-NDEPHWFRSA-N 404.465 5.929 5 1 HKBF O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645671 HKNANPFFQCFOOO-UHFFFAOYSA-N 409.398 5.127 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745495 HITUBRLVFMUQNJ-HXPMCKFVSA-N 407.283 5.074 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(-c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 95586202 ANNONTLEKSMFHK-POICXBNUSA-N 413.521 6.843 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(Cl)c(Cl)cc12 169338880 ITHVUGSODBQBFW-SPLOXXLWSA-N 408.756 6.519 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)/C(=C\c1cccc([N+](=O)[O-])c1)CC3 586986322 AIBMYEMRFYMXGO-QINSGFPZSA-N 420.424 5.547 5 1 HKBF O=C(c1c(Nc2ccc(F)cc2F)nc2c(Cl)ccc([N+](=O)[O-])c2c1O)C1CC1 84602231 SOCQGQLTMYPEAF-UHFFFAOYSA-N 419.771 5.117 5 1 HKBF COc1ccc2c(c1)[C@@H](N1CCCC1=O)C[C@@H](c1cc3ccccc3c3ccccc13)N2 95573519 YQRADZHJGBFHSF-SVBPBHIXSA-N 422.528 6.222 5 1 HKBF Cc1c(F)cccc1C(O)(C[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1cccc(F)c1C 103234810 XEXMASOMLCDSNZ-ACDBMABISA-N 400.533 5.225 5 1 HKBF COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586969769 XZXARJUBGKTZCK-UHFFFAOYSA-N 419.890 5.326 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958724 IITYEZKMHUUHKD-UHFFFAOYSA-N 408.255 5.491 5 1 HKBF COc1c(O)cc2oc3cc4oc(C(C)(C)O)cc4cc3c(=O)c2c1CC=C(C)C 95486377 FTZDZXLLAQPNDR-UHFFFAOYSA-N 408.450 5.143 5 1 HKBF biogenic,in-vitro COc1cc2c(=O)c3c(O)c4c(cc3oc2cc1O)O[C@@](C)(CCC=C(C)C)C=C4 299855799 BOWMLGYDVCBFQT-DEOSSOPVSA-N 408.450 5.277 5 1 HKBF COc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1O)C=CC(C)(C)O4 299862259 MUSWPRFAQWBVJW-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998492 LBRSJQGQZDAKHY-VURMDHGXSA-N 411.215 5.059 5 1 HKBF Cc1c(Br)ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587269300 ACMXYKRJNPDHBP-UHFFFAOYSA-N 409.243 5.271 5 1 HKBF CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-] 13863814 JDKJXMPWWOENAF-CSKARUKUSA-N 424.522 5.074 5 1 HKBF Cc1cccc2/c(=N/C(=S)NCCc3c[nH]c4ccccc34)c3ccccc3[nH]c12 45289096 JCJHNOXIRZWUCV-UHFFFAOYSA-N 410.546 5.129 5 1 HKBF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174757 XFNSQTCNPGNGMA-UHFFFAOYSA-N 419.416 5.075 5 1 HKBF Clc1ccc(Br)nc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587005500 XTYLQVVOHRPQKU-UHFFFAOYSA-N 408.686 6.347 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3cc(F)c(OC)c(F)c3)c2c1 653714276 OVRKBIAKCDKIOF-UHFFFAOYSA-N 414.839 5.371 5 1 HKBF O=[N+]([O-])c1cc([C@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)cc1Cl 962700209 CFYREHDDWFOCGE-GOSISDBHSA-N 409.294 5.704 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1-c1ccccc1)N2 64539924 XIGANYSTQGQIGV-UHFFFAOYSA-N 415.840 5.864 5 1 HKBF c1ccc(CN(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2ccccc2)cc1 587196315 QJKZFDOKWYHRDX-UHFFFAOYSA-N 413.524 7.076 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335728 MDTADCBAMRIWOK-VWNXMTODSA-N 421.424 5.494 5 1 HKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963097240 FWWVGRXKLSQXKM-AVRDEDQJSA-N 405.429 5.031 5 1 HKBF CCCC(=O)O[C@H](C)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772618706 UOEAEXRHBJNZDJ-SSDOTTSWSA-N 422.315 5.309 5 1 HKBF CC(C)=CCc1c(O)cc2oc3oc4c(CC=C(C)C)c(O)ccc4c3c(=O)c2c1O 59778197 WNJJWUYKQKUQED-UHFFFAOYSA-N 420.461 5.827 5 1 HKBF biogenic C[C@H]([C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]([N+](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)[N+](C)(C)C 255214415 GZSAKRZKIDBCQL-PNIPQYGLSA-N 404.727 5.815 5 1 HKBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586915511 FBYZTBCNEXMSJC-AJTFRIOCSA-N 406.485 6.086 5 1 HKBF Cc1cc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Br 586975378 BNGJODJIQIZIEC-UHFFFAOYSA-N 403.283 5.321 5 1 HKBF FC(Br)(Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 587087430 QKGFDTRRQLJUSX-UHFFFAOYSA-N 408.068 5.739 5 1 HKBF Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144316 IDNQZPAOJVXZMP-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF O=C1C[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2c1ccc1c2CCCC1 587512388 NGJZXNXQRLFWDS-DEOSSOPVSA-N 415.445 5.972 5 1 HKBF C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587642996 ALTCOZJUHOQXNZ-SNVBAGLBSA-N 403.232 5.084 5 1 HKBF O=c1cc(NCCOc2ccccc2Br)oc2c1ccc1ccccc12 13608083 FNEVXZRSKAPXGS-UHFFFAOYSA-N 410.267 5.200 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163501 UIVBQKGAXFOOAE-YJYMSZOUSA-N 423.542 5.783 5 1 HKBF C[C@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc([N+](=O)[O-])cc2)nn1 84759152 NGVCBZBUBZOKRE-CQSZACIVSA-N 400.463 5.831 5 1 HKBF CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299862130 MLSHNEVKVSMHDB-FMIVXFBMSA-N 402.929 5.580 5 1 HKBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Oc3ccccc3)cc2[nH]1 587264248 DWVQZKMWMGRJFT-ZDUSSCGKSA-N 419.397 5.345 5 1 HKBF CN1CCN(c2cc(Cl)cc(-c3cc(=O)c4ccc5ccccc5c4o3)c2)CC1 1857579079 COTORUYVKMEPKU-UHFFFAOYSA-N 404.897 5.018 5 1 HKBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccccc3F)N2C23CC4CC(CC(C4)C2)C3)cc1 6006565 BJDPKCDJTKPBIA-RGHJJJJLSA-N 421.472 5.395 5 1 HKBF Clc1cccnc1-c1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cs1 587016679 AAFMXHIJKLYNDJ-UHFFFAOYSA-N 414.881 5.498 5 1 HKBF Cc1ccc2c3c(cc(-c4c[nH]c5ccc([N+](=O)[O-])cc45)nc13)-c1ccccc1C2=O 587096972 FSSDCWRXTIUFDP-UHFFFAOYSA-N 405.413 5.811 5 1 HKBF COc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] 587496502 DJKMCNHTDGRQKY-QFIPXVFZSA-N 415.873 5.325 5 1 HKBF O=[N+]([O-])c1ccc(-c2c(-c3ccc([N+](=O)[O-])c4cccnc34)oc3ccccc23)cc1 1857642233 NYLFJJNPGVEPDX-UHFFFAOYSA-N 411.373 6.131 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Cl 587050899 VEZYRYSPTKLFNW-XFFZJAGNSA-N 407.882 6.446 5 1 HKBF Cc1cc(Cl)ccc1OCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 587066792 ROTKXZHQSUTORM-UHFFFAOYSA-N 402.885 5.633 5 1 HKBF O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645421 UIGYEAYKUFZPFE-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587951820 SRMXKVSMPPGWQH-NSHDSACASA-N 412.243 5.527 5 1 HKBF CCN(CC)CCn1nc2c3ccccc3sc3c4c(cc1c32)OC(C)(C)C=C4 26578370 YWWNJLSQSPZJCV-UHFFFAOYSA-N 405.567 5.930 5 1 HKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4cccc(OC)c4)cc-3oc2c1 72126899 BRKALSCYVLLYOC-COOPMVRXSA-N 423.516 6.173 5 1 HKBF Cc1ccc2oc(=O)c3ccc(-c4cc5c(ccc6ccccc65)oc4=O)nc3c2c1 103197458 OWHUVBNGSINPAT-UHFFFAOYSA-N 405.409 5.576 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586969515 USSBMPXVHUCKHX-UHFFFAOYSA-N 406.851 5.448 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 587073801 ONJUGOJEHJKKSY-JXAWBTAJSA-N 403.869 6.298 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SCc3ccccc3)c([N+](=O)[O-])c1)O2 587409203 KWAJDIYQBOZJPN-NRFANRHFSA-N 420.490 5.484 5 1 HKBF CC[N+](CC)(CC)Cc1ccc(CNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 95585333 YSYSBDGUWHCMCK-UHFFFAOYSA-O 415.601 5.589 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587077816 YINUUBMRGOFWMV-UHFFFAOYSA-N 406.667 5.357 5 1 HKBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 587079008 FJRUWLXXMQZZCQ-KRWDZBQOSA-N 412.884 5.037 5 1 HKBF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048846 ZDFRJNCYLDBGNH-YRNVUSSQSA-N 403.825 5.526 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587135538 GLAWTQGVCKODGT-UHFFFAOYSA-N 417.227 5.954 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C)cc3[N+](=O)[O-])o1)CC2=O 587468180 BQNBNNMSABZXSC-JOCHJYFZSA-N 407.422 5.528 5 1 HKBF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 963268927 BGFWTIOZTVRFBS-JOCHJYFZSA-N 410.857 5.284 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(F)c2[nH]1 586968257 AGDZMWVZIYVZMO-UHFFFAOYSA-N 424.295 5.788 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1F 587015901 XMFROAZJSIWXDS-UHFFFAOYSA-N 409.229 5.708 5 1 HKBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587513247 QXKHNBHMZNPARW-VWLOTQADSA-N 413.429 5.488 5 1 HKBF COc1cc(C[C@H](O)c2cccc(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC 653717450 IKMOHLUVYZRMML-FQEVSTJZSA-N 413.857 5.209 5 1 HKBF C[N+](C)(C)c1ccc(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)cccc3c2)cc1 95598637 FUVHVYWJBBDEMS-UHFFFAOYSA-N 414.572 8.038 5 1 HKBF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 169315195 ANLHBKWHZRLXRB-IUMCKWHJSA-N 407.513 5.623 5 1 HKBF O=c1c2cc(OCc3ccc(C(F)(F)F)cc3)ccc2[nH]c2cc(F)cc(F)c12 1911576192 AOEGBUCNPKHHRZ-UHFFFAOYSA-N 405.322 5.557 5 1 HKBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2N1 587126468 XFPNMAJTUVRPMV-KZULUSFZSA-N 421.426 6.040 5 1 HKBF COc1cc(O)cc(-c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587931184 GBDGTUYLLNAPBE-UHFFFAOYSA-N 416.480 6.918 5 1 HKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 586980572 AXBKRPITJATBHW-UHFFFAOYSA-N 415.222 5.139 5 1 HKBF Clc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1-c1ccccc1 587084315 YCHLBNFTRMWAMT-UHFFFAOYSA-N 407.864 6.042 5 1 HKBF COc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1OC 587135485 CZXAOPBXCNXNON-UHFFFAOYSA-N 407.401 5.270 5 1 HKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1 587343698 USUPPIUEDUYVDP-UPVQGACJSA-N 419.408 5.030 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)O2 587379065 RTKRCJDSZJOWJT-NRFANRHFSA-N 424.840 5.638 5 1 HKBF Cc1ccc(-c2nc(Sc3ncccc3[N+](=O)[O-])c3cc(Cl)ccc3n2)cc1 64531779 DUZPGPOQHUWGBK-UHFFFAOYSA-N 408.870 5.713 5 1 HKBF O=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)c1cccs1 169348194 SMSQDHLTWDUZCL-UHFFFAOYSA-N 400.507 5.163 5 1 HKBF CCCCCCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 586981353 JGLYILFTTZBUDN-UHFFFAOYSA-N 419.279 5.255 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 104020957 BFZRRHJMIKJCII-IQMFZBJNSA-N 417.490 6.285 5 1 HKBF C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699079 DUEXGTUYTCUBKM-AOMKIAJQSA-N 412.486 5.107 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccsc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204983050 QGIRFVZDQGTGDQ-UHFFFAOYSA-N 408.460 5.812 5 1 HKBF Nc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)sc2cc(Br)ccc12 587030598 GFGHHHZGILAZOY-UHFFFAOYSA-N 423.679 5.351 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cc2)cc1 587271490 CWGYNVGNJVSQCU-UHFFFAOYSA-N 411.320 5.252 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC3CCCCC3)c([N+](=O)[O-])c1)O2 587409093 GHRSDOFXRPSPSG-FQEVSTJZSA-N 412.511 5.617 5 1 HKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587948796 IRLXBBMOUNOCSK-VWKPWSFCSA-N 421.497 5.756 5 1 HKBF CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(ccc5cc(Br)ccc54)[nH]c23)O1 71341781 KUUTXVRSIPTJCL-UHFFFAOYSA-N 422.278 5.487 5 1 HKBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587150936 VNDYKUDOGXKBRH-UHFFFAOYSA-N 412.403 5.005 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587960385 BSQKLDWVXLJRAM-UHFFFAOYSA-N 408.255 5.491 5 1 HKBF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 169315201 ANLHBKWHZRLXRB-YGNKLRGMSA-N 407.513 5.623 5 1 HKBF Fc1ccc(-n2nnc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2C2CC2)cc1 587169213 XMRNHDHMGFLQPZ-UHFFFAOYSA-N 419.463 6.134 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2c2ncccc12 587587982 QVRDNDYBUAPKJW-RLWLMLJZSA-N 420.424 5.192 5 1 HKBF O=[N+]([O-])c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc(Cl)c(Cl)c1 64503784 WBTZHNDKRIRFIN-UHFFFAOYSA-N 415.240 5.660 5 1 HKBF CCc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174162 AYJLJEJSRIJQNH-UHFFFAOYSA-N 409.515 5.482 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] 587265148 OTQJWYWNLQDBCR-UHFFFAOYSA-N 416.268 5.307 5 1 HKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccccc2F)c2ccc(Cl)cc2Cl)cn1 66079356 DDJCNGCHJZADLC-QGZVFWFLSA-N 410.232 5.195 5 1 HKBF Oc1c(Br)cc(Br)c2nc3cc4ccccc4cc3nc12 653875561 ZNYCNTKBUCYXSK-UHFFFAOYSA-N 404.061 5.167 5 1 HKBF COc1cc2oc3c(O)cc(CC=C(C)C)c(OC)c3c(=O)c2c(O)c1CC=C(C)C 205571430 MCECOFCFUGXIIX-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF C[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587096806 BRHFPWZEKLIWCW-MRVPVSSYSA-N 414.181 5.404 5 1 HKBF C[C@]1(CCc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339358 SXJOKIRNNUVDID-ISKFKSNPSA-N 421.424 5.190 5 1 HKBF CC(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747838 QKTJFIAXSAZMCT-NSPYISDASA-N 407.283 5.243 5 1 HKBF C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963097556 GTUYRCALZKFGJL-KXVHNFKESA-N 416.496 5.802 5 1 HKBF Cc1c(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(-c2ccccc2)nn1-c1ccccc1 103229654 GUFUDRODEYVSNK-UHFFFAOYSA-N 423.432 5.473 5 1 HKBF CC[C@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc([N+](=O)[O-])cc2)o1 169702791 SZBQGYMDGGSKBT-HNNXBMFYSA-N 419.235 5.014 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587270647 PINCAPBVMDWQSK-UHFFFAOYSA-N 400.463 5.533 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc([N+](=O)[O-])ccc3OC)o1)CC2=O 587473677 ZGGFYFAGNZAJSB-QFIPXVFZSA-N 423.421 5.228 5 1 HKBF Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(-c2ccccc2)cc1 1857596529 VNTFHGKPOUFEIY-UHFFFAOYSA-N 422.444 5.240 5 1 HKBF CCCCN(CCCC)CCCOc1ccc(-c2cn3cccc([N+](=O)[O-])c3n2)cc1 13819548 IUJFEQICLTVFNY-UHFFFAOYSA-N 424.545 5.581 5 1 HKBF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 71296213 KLHYHHTUPNHIAW-OAQYLSRUSA-N 411.417 5.333 5 1 HKBF Cc1ccc2c(ccc3nc(-c4cc(-c5cccc(F)c5C)cc([N+](=O)[O-])c4)[nH]c32)n1 587136038 ADSGWUXASJMDRQ-UHFFFAOYSA-N 412.424 6.109 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccc(Cl)cc12 169338913 ICDSOINTQFZHPW-QKKBWIMNSA-N 408.756 6.519 5 1 HKBF COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc(Cl)c1OCC(C)C 587044929 WWFGAZUBPZNSKU-UHFFFAOYSA-N 410.257 5.488 5 1 HKBF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O 587105346 ZAXSPLUYCTXZTH-FQEVSTJZSA-N 420.424 5.002 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)c12 587644593 GQLAWEJKJOAIGT-UHFFFAOYSA-N 417.679 7.370 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3nc3ccccc23)N1 587780248 ZNTHNAUOYZOTPO-ZLOXQWCVSA-N 421.313 5.913 5 1 HKBF O=c1oc2c3ccc4ccccc4c3n(CCCN3CCCCC3)c2c2ccccc12 1625572 LDDQJLPSEQXDIT-UHFFFAOYSA-N 410.517 5.930 5 1 HKBF COc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1 71296746 GBKDNZZWYQFHND-UHFFFAOYSA-N 411.436 5.057 5 1 HKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943830 PTVGMWTXGDMZPK-AWEZNQCLSA-N 416.424 5.558 5 1 HKBF CCCC[N+]1(CCCCCCCCCCCC[N+]2(CCCC)CCCC2)CCCC1 13679892 SUURYGHSCZUBDB-UHFFFAOYSA-N 422.786 7.709 5 1 HKBF CCCCCc1nc(-c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174924 HHSNLVYSFQIDIP-UHFFFAOYSA-N 409.490 5.204 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 253660923 USMUDLPXXBPJQV-HOIFWPIMSA-O 418.388 6.011 5 1 HKBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587114563 UIYNDZZEAVLNEB-CYBMUJFWSA-N 406.411 6.024 5 1 HKBF COc1cc(OC)c2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2c1 587135488 DBCAZQCEQYPHKC-UHFFFAOYSA-N 407.401 5.270 5 1 HKBF CCCCCc1nc(-c2cnc(NCCCC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163408 ZEHXVRIHHZWYIO-UHFFFAOYSA-N 423.517 5.960 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338489 YHDRAPBDBZZFDE-QKKBWIMNSA-N 408.756 6.519 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587051963 WMVOVDBYLZMGFQ-MSOLQXFVSA-N 403.312 7.447 5 1 HKBF CCc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(O)c([N+](=O)[O-])c1 587097905 LOUCIGFROJJSQV-UHFFFAOYSA-N 410.429 5.598 5 1 HKBF C[C@]1(c2ccc(Br)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587505080 UHFFJASPYQWRBY-HXUWFJFHSA-N 416.271 5.117 5 1 HKBF CC(C)=CCCC[C@@]1(C)C=Cc2c(cc3oc4c(O)ccc(O)c4c(=O)c3c2O)O1 2356729299 WKPUEMHXKCHBJW-DEOSSOPVSA-N 408.450 5.364 5 1 HKBF FC(F)(F)Sc1ccc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587125814 SBKRLNMWJBBOTQ-KAMYIIQDSA-N 420.459 7.652 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2C)c(OC)c1 587928979 ITAZBKISHRFAAA-UHFFFAOYSA-N 407.401 5.270 5 1 HKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(Cl)cc(Br)c1 587941799 VRAJHOPYEAGUKN-SNVBAGLBSA-N 417.687 5.028 5 1 HKBF COc1ccc(-c2cc(-c3cccc4ccccc34)nc3cnc4ccccc4c23)cc1 1772588122 RGDIYIIZEMEXHW-UHFFFAOYSA-N 412.492 7.279 5 1 HKBF CC=CC=CC=CC=CC=CC=CC=C[C@@H](O)CC(=O)CC=C1CC=C(O)[C@H](OC)C1 2356332227 BBWMWTAADBLZSI-SHQCIBLASA-N 422.565 5.787 5 1 HKBF Cc1c(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cccc1[N+](=O)[O-] 587512544 YNHXOFZNOWAYHX-QHCPKHFHSA-N 402.450 5.279 5 1 HKBF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1 587644993 UABIOIKLADSESH-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF COc1ccc([C@@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587936749 LXTIXRMVVBCESD-JOCHJYFZSA-N 416.484 5.848 5 1 HKBF COc1cc2c(=O)cc(-c3cccc(Br)c3)[nH]c2c2c(OC)cccc12 1857587023 PTIABZFIOSVMTB-UHFFFAOYSA-N 410.267 5.128 5 1 HKBF O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 13118814 DVVOTUXKOYRRNA-USNOLKROSA-N 417.509 5.448 5 1 HKBF COc1cc2c(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3oc2cc1O 15120682 VEGUCVDYIMCIAZ-RIYZIHGNSA-N 410.466 5.307 5 1 HKBF biogenic,in-vitro CC(=O)c1c(Nc2ccc(C(C)(C)C)cc2)nc2c(Cl)cc([N+](=O)[O-])cc2c1O 40949688 XXOWAPKTUPTIDL-UHFFFAOYSA-N 413.861 5.746 5 1 HKBF CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])C2)C(C)(C)CCC1 95587344 SOACJZPHTZPZGC-DACFSCGWSA-N 415.537 6.985 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)o1 587265150 OVQDTMSCJQYLCP-UHFFFAOYSA-N 411.417 5.977 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587428336 MKFLGRGGGHVSNT-GAJHUEQPSA-N 421.380 5.024 5 1 HKBF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N(C)[C@H](C)C2 962629715 PUDLHDBIKGLCGK-GYCJOSAFSA-N 418.493 5.245 5 1 HKBF O=Nc1c(-c2c(O)[nH]c3cc(Br)c([N+](=O)[O-])cc23)[nH]c2ccccc12 13559475 DFHRUTWHYJCTMH-UHFFFAOYSA-N 401.176 5.090 5 1 HKBF CC(C)(O)[C@H](Cc1c[nH]c2ccccc12)NCc1c2ccccc2cc2ccccc12 71319279 XJIKMRWNYOJROJ-MHZLTWQESA-N 408.545 5.946 5 1 HKBF Cc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F 587094820 INOLITQMEJIUOP-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587109728 SSAAQVQQVSDHMJ-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587171109 YSZHGBKGGGFKJP-SECBINFHSA-N 410.268 5.269 5 1 HKBF CCC(C)(C)c1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587564588 LYHJFARRHLYSBC-UHFFFAOYSA-N 418.291 5.500 5 1 HKBF CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)C1 587648858 NFNLCBOBRSGQCS-QGZVFWFLSA-N 421.497 5.858 5 1 HKBF O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1 13489691 UEFZKRWCBHMIDQ-ISKFKSNPSA-N 402.494 5.064 5 1 HKBF CC[C@@H](C)N1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95571800 HLEVHFFBQDVIIZ-OAHLLOKOSA-N 409.526 5.184 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586998491 LBRSJQGQZDAKHY-SOFGYWHQSA-N 411.215 5.059 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)CC2=O 587473124 QEGIMGVDBMOYRW-QFIPXVFZSA-N 406.438 5.059 5 1 HKBF O=Cc1ccc(OCc2occc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586900068 AZBJMISPURNVPI-UHFFFAOYSA-N 418.452 6.521 5 1 HKBF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587074248 URCRPTIJLSARJF-UHFFFAOYSA-N 408.801 5.675 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 34804432 SEOVFYVLVNFYAM-UHFFFAOYSA-O 408.349 5.001 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2cc(Cl)ccc12 169338896 GMQCRCQFZXYBMW-DEOSSOPVSA-N 418.408 7.235 5 1 HKBF Cc1nc(-c2ccccc2)sc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587012962 WEJKEDIXENYPTG-UHFFFAOYSA-N 407.502 5.682 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Cl 587136803 NJAQHOSAFJKKSS-UHFFFAOYSA-N 405.010 5.347 5 1 HKBF Nc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587250656 OYGBOXRHAXIVAE-UHFFFAOYSA-N 409.243 5.150 5 1 HKBF O=C1C[C@@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587503919 HJXQXNFLHCRZSX-QFIPXVFZSA-N 422.868 5.624 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1 587859719 HIUGYLGLSHUFHZ-UHFFFAOYSA-N 420.252 5.161 5 1 HKBF Cc1cc2c(cc1F)[C@@](c1c3ccccc3cc3ccccc13)(C(F)(F)F)NCC2 962303142 VFCUDWKYLVQZTL-XMMPIXPASA-N 409.426 6.392 5 1 HKBF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc2ccc3cccc4ccc1c2c34 963029504 DCMDKMFFXPWUNG-LJAQVGFWSA-N 414.508 6.376 5 1 HKBF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356875839 YVTJJNCBOYPJBN-QKNQBKEWSA-N 412.534 5.040 5 1 HKBF CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc21 103245981 CSHKTDATABJRSU-RUZDIDTESA-N 420.484 5.517 5 1 HKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1 587343695 USUPPIUEDUYVDP-LADGPHEKSA-N 419.408 5.030 5 1 HKBF CCc1c(-c2cccc([N+](=O)[O-])c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362691 JNIOYQIIGTXRMY-UHFFFAOYSA-N 424.456 6.794 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 963234278 VEBKIYUQNGTVQI-AVRWGWEMSA-N 420.940 6.197 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C/c1cccc([N+](=O)[O-])c1)CC3 587104835 KKTMHRRMSLEMIK-DTQAZKPQSA-N 404.425 5.841 5 1 HKBF CCCCCOc1cc2[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc2cc1Br 587269602 VKBVNSRXQKDMNR-UHFFFAOYSA-N 408.252 5.371 5 1 HKBF S=C(Nc1ccccc1)Nc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 653704635 UPZKVGADTRAZJM-UHFFFAOYSA-N 420.541 6.362 5 1 HKBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 6006564 HSTKMQXUSIPRJS-YMHSLHOESA-N 403.482 5.256 5 1 HKBF CCN(CC)c1cc(C)c2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 71340353 QYIPWKYCJJCRPS-XAYXJRQQSA-N 408.505 5.868 5 1 HKBF COCCO[C@@H]1[N+]([O-])=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)CC1(C)C 95585446 IOTCAAMIAROPJH-PUHSMXRQSA-N 413.517 5.968 5 1 HKBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)c2ccccc2c1O 169323599 YCHWOULTDPJBDJ-UHFFFAOYSA-N 421.634 5.122 5 1 HKBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587112288 FRCLHKUGOVANTF-OAHLLOKOSA-N 404.435 7.234 5 1 HKBF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645106 VPBLAQIQLSZHSQ-UHFFFAOYSA-N 414.889 6.063 5 1 HKBF O=c1c2c(OC[C@H]3CS3)cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c12 45367830 DUXFZXRFGYRKQM-CVEARBPZSA-N 422.527 5.088 5 1 HKBF CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C(C)(C)CCC1 95590851 JLPGAELAEUPCKR-XOJXFWDVSA-N 415.537 6.985 5 1 HKBF O=C1c2ccccc2-c2cc(-c3c(Cl)cccc3[N+](=O)[O-])nc3ccc(O)c1c23 586985035 DZOJMOIIQVVIRJ-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF FC(F)(F)CSc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccn1 587093682 PVKWWJVXXWQRST-UHFFFAOYSA-N 411.412 5.376 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cc1 587271685 FJSKEPYYVVFAMX-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1 587271827 HWAXFAQBTKTISI-UHFFFAOYSA-N 417.318 6.088 5 1 HKBF CC1(C)C[C@@]2(c3cc([N+](=O)[O-])ccc3O1)c1ccsc1CCN2Cc1ccco1 962711898 QTWSDNKPXHIQCS-QFIPXVFZSA-N 410.495 5.112 5 1 HKBF CCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 1625029 IGYWKDJUZWIBNJ-UHFFFAOYSA-O 405.518 5.468 5 1 HKBF O=[N+]([O-])c1ccc(/C=C2\C=C([C@@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 17380751 WOSWZZDCBFFXRQ-ILAWTMEDSA-N 400.390 5.174 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3)nc3ccc(O)c1c23 586986997 XAAVRANJXPZLDM-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF Clc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccnc1Br 587008430 VNTNUTUOIBVNIZ-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1c3ccccc3cc3cccc2c13 587529331 NXPRTNYQDWTRDO-MUUNZHRXSA-N 404.465 5.929 5 1 HKBF O=[N+]([O-])c1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)ccc1Br 962658448 CPPHYPQNIMUAKN-NRFANRHFSA-N 409.283 5.259 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)ccc2c2ccc(Cl)cc12 169338430 BFLRQLZZCNGOQA-HRAATJIYSA-N 407.863 6.231 5 1 HKBF Clc1ccc(Br)nc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587004874 AUSLCIXVGHASPS-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@@H](C2)C3=O 587452976 QJZGLMJLOAFYNZ-FDDCHVKYSA-N 419.458 5.243 5 1 HKBF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)N(C)[C@H](C)C2 962571878 PEIJZEHAZYBHTJ-FATZIPQQSA-N 424.522 5.306 5 1 HKBF O=C(O)c1cccc2c1CCN[C@@]2(c1cc2ccccc2c2ccccc12)C(F)(F)F 963130002 HWQJTOYQLVSVAT-DEOSSOPVSA-N 421.418 5.643 5 1 HKBF O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccs2)C[C@H]1c1ccc(Cl)cc1 28571463 BYAPJMDTHMHWTA-SFHVURJKSA-N 411.870 5.301 5 1 HKBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587045035 YZCJQOGAAHJKIK-UHFFFAOYSA-N 402.621 5.116 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587749422 XXCJDFWQZNJPJL-YCZDFRRMSA-N 405.267 5.175 5 1 HKBF O=c1oc2ccccc2c2nc3c(ccc4cc[nH]c43)c(-c3cccc4ccccc34)c12 1911574612 IUPSXFIAGBKHIF-UHFFFAOYSA-N 412.448 6.796 5 1 HKBF COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C(=O)OC 96014399 UNTSJRBZLAUZBX-IUMINJKLSA-N 408.538 5.899 5 1 HKBF CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C/C=C(C)\C=C/C=C(C)/C=C/C=C(/C)CO 238731745 CCBSGQLGLZMKTB-OCLJLMOJSA-N 418.665 8.681 5 1 HKBF FC(F)(F)Sc1ccc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587125833 SZAPEISYIIYEKX-JXMROGBWSA-N 422.435 6.442 5 1 HKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505206 ZAPYWIMWIXCPOZ-NRFANRHFSA-N 401.846 5.016 5 1 HKBF CCCN(CCC)CCOc1ccc2[nH]c3cc(Cl)c(Cl)cc3c(=O)c2c1 1857608318 SYNYIOMTJMEEKL-UHFFFAOYSA-N 407.341 5.489 5 1 HKBF COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511790 ISOCELVWPIQUJZ-HSZRJFAPSA-N 419.433 5.449 5 1 HKBF O=[N+]([O-])c1cccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3[nH]2)c1 587630691 ACCHWXIMMZAZFX-UHFFFAOYSA-N 406.804 6.079 5 1 HKBF O[C@@H](C[C@@H]1CC2CCN1CC2)c1cc2ccccc2c2cc(Br)ccc12 169338092 YAMWIWAUYHCSSU-MBSDFSHPSA-N 410.355 5.663 5 1 HKBF O=Cc1ccc(OCc2occc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586900356 GTHNBTSVOJGLRC-UHFFFAOYSA-N 420.428 5.311 5 1 HKBF O=C(Nc1ccccc1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587247907 XIOOPLIVMIHXQW-UHFFFAOYSA-N 415.456 5.579 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2nc2ccccc12 587588006 RATZYJWYNQIZNI-RPLLCQBOSA-N 419.436 5.797 5 1 HKBF CCCCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCCCC)cc3nc2c1 40846632 XBSOAQPCYNNWGS-UHFFFAOYSA-N 407.518 5.231 5 1 HKBF O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)c1coc2cc([N+](=O)[O-])ccc12 587280132 KNTRXVTZJDAYFB-UHFFFAOYSA-N 403.177 5.534 5 1 HKBF O=C1C[C@@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)Oc2c1ccc1c2CCCC1 587513942 VRAKWLCTVUMBJC-DEOSSOPVSA-N 415.445 5.972 5 1 HKBF CCCN(CCC)c1c([N+](=O)[O-])cc(Sc2ccc(OC)cc2)cc1[N+](=O)[O-] 64436623 XHEAZHKZSXGBOM-UHFFFAOYSA-N 405.476 5.289 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163687 IIDVTURHLVPYBK-GJZGRUSLSA-N 423.542 5.220 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)c1 587269491 DRXAORIVPRSWRZ-UHFFFAOYSA-N 418.762 5.872 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1)O2 587379589 JLOFGJAQQRLIPI-OAQYLSRUSA-N 424.840 5.638 5 1 HKBF COc1ccc(NC(=O)Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4o3)cs2)cc1 473092009 ZSRRFBDLPWBOCR-UHFFFAOYSA-N 410.411 5.117 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1F 587015553 PKGJGOHIQLJCRB-UHFFFAOYSA-N 409.229 5.708 5 1 HKBF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587148789 HHFYHFAOCYOEGP-MHZLTWQESA-N 417.487 7.210 5 1 HKBF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645395 UCULGDFIJXTVLS-UHFFFAOYSA-N 400.259 5.090 5 1 HKBF O=C(O)CCN(CCc1nc2c3ccccc3c3ccccc3c2[nH]1)Cc1ccccc1 587193288 GRCJILCEZAQMPX-UHFFFAOYSA-N 423.516 5.389 5 1 HKBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587235458 NIZUMQNTFLQKRD-NHCUHLMSSA-N 415.537 6.420 5 1 HKBF CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)C1 587648857 NFNLCBOBRSGQCS-KRWDZBQOSA-N 421.497 5.858 5 1 HKBF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2O 13681719 HKVOYFRRZULPDD-PDQRKMNRSA-N 405.494 5.211 5 1 HKBF O=C1S/C(=C/c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1 38838850 YNCXNVOUFHKLHL-LPYMAVHISA-N 414.461 5.764 5 1 HKBF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C(F)(F)C1 587132186 MFCUWHWFSICSGV-SFHVURJKSA-N 423.463 5.839 5 1 HKBF C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699086 DUEXGTUYTCUBKM-OPAMFIHVSA-N 412.486 5.107 5 1 HKBF Brc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C2CC2)s1 587013436 WHLLNQXUGMKKHZ-UHFFFAOYSA-N 422.311 5.423 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)CC2=O 587473227 RJKNMWNBDWNCOM-JOCHJYFZSA-N 406.438 5.059 5 1 HKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C)N1 962939494 BMRNIETUCJDDKA-VOIUYBSRSA-N 400.482 5.189 5 1 HKBF CCCCCCC(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 13660887 YQJLFNDVUWIFIU-UHFFFAOYSA-N 424.482 5.922 5 3 HKBF COc1cccc2c1oc1c3c(cc4c1c2nn4CCN1CCCC1)OC(C)(C)C=C3 26578289 YCGISVKRGWGAIC-UHFFFAOYSA-N 417.509 5.224 5 1 HKBF COP(=O)(OC)[C@@H](Nc1ccc(C)cc1)c1c2ccccc2cc2ccccc12 82156797 RSNBYPMCVJANAT-XMMPIXPASA-N 405.434 6.898 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587051973 WQQMNTHGOOTMQA-KGLIPLIRSA-N 405.288 6.237 5 1 HKBF Clc1ccc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)nc2c1Cl 587083146 IICMCYZMRLGOTJ-UHFFFAOYSA-N 416.271 6.181 5 1 HKBF Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc([N+](=O)[O-])cc1 28639691 KUMFPIXOURULHM-UHFFFAOYSA-N 403.265 5.011 5 1 HKBF O=C1/C(=C/c2ccccc2[N+](=O)[O-])c2ccccc2N1c1c(Cl)cccc1Cl 45497442 LPGHPWXIDYVYAK-NTCAYCPXSA-N 411.244 6.121 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1c2ccccc2cc2cc(Cl)c(Cl)cc12 59796705 JLHXKWHRKIVEPK-HSZRJFAPSA-N 418.408 7.235 5 1 HKBF CCCC(Br)(CCC)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586970873 LHAHUNQIVQZLDP-UHFFFAOYSA-N 419.117 5.424 5 1 HKBF Cc1nc(-c2ccccc2)sc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587012890 UMRRFNYMTYTNLP-UHFFFAOYSA-N 407.502 5.682 5 1 HKBF Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645200 YZUINSIYPDJBSP-IBGZPJMESA-N 420.852 5.921 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3c3ncccc23)N1 587778529 LURFLJPQBMNYTD-IPQOISQHSA-N 422.301 5.308 5 1 HKBF COc1ccc(C2=Cc3ccc(F)cc3[C@H](C[N+](=O)[O-])N2c2ccc(Cl)cc2)cc1 653801310 NPTQCMHDTYMTTI-QHCPKHFHSA-N 424.859 5.824 5 1 HKBF Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373996 FQJBKZRFVPVLHB-HSZRJFAPSA-N 422.868 5.356 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(C(O)(C(F)(F)F)C(F)(F)F)c12 587645286 OCQHOKCQBDTPQQ-UHFFFAOYSA-N 404.266 5.055 5 1 HKBF CCCCCCc1cc(C(=O)Nc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1 28249665 LUYLEAJHZWSGMV-UHFFFAOYSA-N 421.291 5.438 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C 100782892 GMQZSQMIENYQEB-LODSDPAFSA-N 410.598 5.751 5 1 HKBF endogenous,in-man N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c3ccccc3c3ccccc3c2[nH]1 587081203 XUGOXWFISQUGGH-OAQYLSRUSA-N 410.908 6.247 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cc1 587271341 BXULYWSRTBYAMV-UHFFFAOYSA-N 411.320 5.252 5 1 HKBF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644421 CBTURHPCOMIKNG-LJQANCHMSA-N 406.825 5.613 5 1 HKBF CN(C)CCOc1ccc(Cn2c3ccccc3c3sc4cc(O)ccc4c32)cc1 28524370 CSBJJFAQPJISOU-UHFFFAOYSA-N 416.546 5.704 5 1 HKBF CCc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174745 LJMVZXNIGMWMJZ-UHFFFAOYSA-N 417.494 5.350 5 1 HKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCCC[C@@H]1C3 95575136 GAOHSXASJQVKRS-MRXNPFEDSA-N 421.537 5.328 5 1 HKBF Fc1cccc2c1nc(OCC1CCN(CCC(F)(F)F)CC1)c1ccccc12 103248577 UNBKIEJIYQCBIV-UHFFFAOYSA-N 406.423 5.570 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Cc1ccccc1[N+](=O)[O-])CC3 586987166 KHQRNINDAVBUMG-OAHLLOKOSA-N 422.440 5.333 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Cl 587067632 IBIAJXMLVJMLJH-UHFFFAOYSA-N 419.655 6.160 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068464 ALYCYDXVSZNXRO-IXMVKTJZSA-N 402.281 6.144 5 1 HKBF CCCc1nc2c([N+](=O)[O-])cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28342132 QFYYNKJILFXITA-UHFFFAOYSA-N 415.449 5.311 5 1 HKBF C[N+](C)(CCCN1c2ccccc2Sc2ccccc21)Cc1cccc(Cl)c1 40776254 JAXHZSVQCROEOJ-UHFFFAOYSA-N 410.006 6.609 5 1 HKBF Clc1ccccc1-c1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587062590 HEWFYYDEOPGABT-UHFFFAOYSA-N 420.903 6.571 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1F 587068357 SPPRLQRJSWAXQF-UHFFFAOYSA-N 423.791 5.376 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)c1 82163553 DOXYUFIIBOCUJJ-UHFFFAOYSA-N 403.467 5.150 5 1 HKBF COc1cccc(-c2cc(-c3cc(C)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587363176 QWQRQIHZVWHJDJ-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)CC2=O 587468808 DPGHTHPMRHXUSG-HSZRJFAPSA-N 403.434 5.626 5 1 HKBF CC[N+](CC)(CC)CCCCCCCCOc1ccc(/C=C/c2ccccc2)cc1 1857537611 MFZDCTGKYAGWRM-VHEBQXMUSA-N 408.650 7.453 5 1 HKBF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163691 ZNVGPBAVSMMVNL-ZIAGYGMSSA-N 423.542 5.274 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511795 ITJNKPPTAFJGFS-QHCPKHFHSA-N 403.434 5.749 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 963234285 VEBKIYUQNGTVQI-BVZFJXPGSA-N 420.940 6.197 5 1 HKBF CCN(CC)CCn1c2ccc(Cl)cc2c2sc3cc(Cl)ccc3c(=O)c21 1857591113 NTOOTZDSMKPUSD-UHFFFAOYSA-N 419.377 6.018 5 1 HKBF COc1cc(F)cc2[nH]c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3c(=O)c12 1911579933 MFTUOBWOCWMBEM-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF CC[C@@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O 40408433 ADKZETJMQRZCBI-OAHLLOKOSA-N 414.530 5.636 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cc1 587271738 GPDBEPOXDHBXOL-UHFFFAOYSA-N 415.384 5.255 5 1 HKBF Cc1ccc(-c2coc3c(c(O)cc4occ(-c5ccc(C)cc5)c(=O)c43)c2=O)cc1 653882163 SGDAPKOOHUZPGB-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC1=C(C)CCCC1(C)C 1857540229 BQDCGKBMVFHDFX-UHFFFAOYSA-N 410.466 5.141 5 1 HKBF CN(C(=O)c1cc2c(s1)sc1c(=O)n(C)c3ccccc3c12)c1ccccc1 1652895 GNUINEACFTUSCO-UHFFFAOYSA-N 404.516 5.245 5 1 HKBF COc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(CCN1CCCCC1)C2=O 40878938 MQOLTEUFMYEYDH-UHFFFAOYSA-N 424.928 5.110 5 1 HKBF Cc1nn(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)c1Br 586978695 BXVDPLYKWLFOEG-UHFFFAOYSA-N 405.299 5.493 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587069238 DIVZBRDFOQDDSK-DXPHVESMSA-N 420.271 6.283 5 1 HKBF Clc1cccnc1-c1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cs1 587017351 KJGIEFJSHRCRAQ-UHFFFAOYSA-N 414.881 5.498 5 1 HKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cccc3cc4ccccc4c1c23 587483478 QJTVAULFIGWGBI-HHHXNRCGSA-N 408.453 5.708 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3nc4ccccc4n3C(F)F)c(-c3cccs3)[nH]c2c1 587646644 ZCYMXGBYTKVHTE-UHFFFAOYSA-N 410.405 6.216 5 1 HKBF C[C@]1(c2cc3cc([N+](=O)[O-])ccc3o2)c2cccc(F)c2CCN1[C@H]1CCSC1 962699082 DUEXGTUYTCUBKM-KSFYIVLOSA-N 412.486 5.107 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2n(C)c2cccc(Cl)c12 40900672 QMKPIRCDPNHNKA-KRWDZBQOSA-N 423.004 6.407 5 1 HKBF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587038816 MLVKSUAVHRPFPP-UHFFFAOYSA-N 417.494 5.735 5 1 HKBF Clc1cnn(COc2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587082616 UBRSKOKNNUZLTQ-UHFFFAOYSA-N 424.891 6.423 5 1 HKBF Cc1cc(C)c2cc([C@@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339468 ZMCZQUCKJICFDJ-HXOBKFHXSA-N 401.472 6.194 5 1 HKBF Cc1ccc(-c2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c(C)s2)cc1 587012805 KHYBDZWBEXUWNC-UHFFFAOYSA-N 405.526 7.277 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)o1 587264204 DETCNTTXJAVPRW-UHFFFAOYSA-N 407.735 6.070 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587265873 YCDFLVVPNKUKFI-VIFPVBQESA-N 424.240 5.129 5 1 HKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc21 587472100 YBUSGTUTBNZVHH-DEOSSOPVSA-N 417.417 5.268 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12 169333885 WNOUKWQFGLKTOD-CJFMBICVSA-N 416.952 6.274 5 1 HKBF COc1ccc2c(c1)[C@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)N(C(C)C)CC2 962090525 LNVJVNXLPDJEQS-DEOSSOPVSA-N 403.482 5.021 5 1 HKBF CN(C)CCCNc1nc2ccccc2c2[nH]c3c4cc([N+](=O)[O-])ccc4ccc3c12 13440372 VENNTGMAZAZSJZ-UHFFFAOYSA-N 413.481 5.294 5 1 HKBF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587048845 ZDFRJNCYLDBGNH-XFFZJAGNSA-N 403.825 5.526 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc([N+](=O)[O-])ccc4Cl)o1)[C@@H](C2)C3=O 587423168 SYYFXVPXMNKOHA-LHSJRXKWSA-N 411.797 5.006 5 1 HKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cccc3ccc4cccc1c4c23 587487442 ZTMYCRYZHZNBQD-HHHXNRCGSA-N 408.453 5.708 5 1 HKBF COc1cccc(-c2cc(-c3ncc(C)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362374 IKBZABDBCACSMO-UHFFFAOYSA-N 411.417 5.935 5 1 HKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc([N+](=O)[O-])c2C3)c1 587362696 JTYYDNJDWQKEPQ-UHFFFAOYSA-N 408.413 6.136 5 1 HKBF Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646366 QBLQCVUWSIZNDT-UHFFFAOYSA-N 415.165 5.713 5 1 HKBF CC(=O)Nc1ccc(OC(=S)Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 1857773256 YQIMKWDMDIMZLV-UHFFFAOYSA-N 422.466 5.073 5 1 HKBF CC(C)=CCCC(C)=CCC[C@H](C)C=CC(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@@H]12 2356319481 IUUKDWXSYSAIGO-MGDCHWCSSA-O 401.659 5.787 5 1 HKBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163689 ZNVGPBAVSMMVNL-OKILXGFUSA-N 423.542 5.274 5 1 HKBF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174629 OSFUAZSCXBUDLS-ZIAGYGMSSA-N 423.542 5.274 5 1 HKBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587070753 WLAUHAYRGOLWBS-CYBMUJFWSA-N 400.869 5.689 5 1 HKBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587233642 VBMOJDDPRSKLEA-PMACEKPBSA-N 401.510 6.030 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)c1 587269388 BUDWCDRZHOWNFJ-UHFFFAOYSA-N 422.444 5.779 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)Oc2c1ccc1c2CCCC1 587513470 UGRSGOCHOQOJLC-HSZRJFAPSA-N 400.434 5.242 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586974570 VMSOSHUOHYHVFV-UHFFFAOYSA-N 419.506 6.679 5 1 HKBF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644420 CBTURHPCOMIKNG-IBGZPJMESA-N 406.825 5.613 5 1 HKBF CC(C)=CCC/C(C)=C/Cc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 14683152 CGMGCGYLRFAMQF-VIZOYTHASA-N 404.462 6.339 5 1 HKBF Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1cccnc12 103248565 YKBQHBXRXWGQIZ-UHFFFAOYSA-N 421.438 5.355 5 1 HKBF CC[C@@H](C)c1ccc2[nH]c(C(C)(C)C)c(Oc3ccc([N+](=O)[O-])cc3Cl)c2c1 587642750 VGDHQIKDPGTLRL-CYBMUJFWSA-N 400.906 7.333 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587843596 JDHQOXDVAVSTBL-MLXNANBUSA-N 419.703 5.009 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1Cl 587854961 HNNJNNJJOOHTNL-UHFFFAOYSA-N 412.660 5.806 5 1 HKBF Cc1cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1Cl 31501464 NGYCJKLJPYZVHX-UHFFFAOYSA-N 411.123 5.276 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3)c12 587643943 KZOHFULWVPEPOR-UHFFFAOYSA-N 409.239 5.878 5 1 HKBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c3ccccc3c3ccccc3c2[nH]1 587081202 XUGOXWFISQUGGH-NRFANRHFSA-N 410.908 6.247 5 1 HKBF c1ccc(C[C@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587954840 BDYWNMWWEJKHSC-JOCHJYFZSA-N 400.485 6.034 5 1 HKBF CCN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 1772631734 FVKDOSLESIJQMI-UHFFFAOYSA-N 419.546 5.411 5 1 HKBF Brc1cccn2ncc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c12 587007127 VUFAJLUHCOBOMH-UHFFFAOYSA-N 413.278 5.947 5 1 HKBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329784 APMSJEBCZPUWEZ-GMAHTHKFSA-N 407.397 5.022 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccc(COc2cccc3ccccc23)cc1 1857650159 YDWRPEFDBIMXGV-UHFFFAOYSA-N 423.390 7.013 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccco4)C3=C(O)C2)c1 104001927 KGMJCVXISDORQZ-WNSKOXEYSA-N 401.422 5.817 5 1 HKBF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587075359 BXXUQUNBTVIOEZ-UHFFFAOYSA-N 421.887 6.957 5 1 HKBF Cc1cc(N(C)Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c([N+](=O)[O-])cc1F 587137200 SQQWHFXGFHGJBK-UHFFFAOYSA-N 414.440 5.861 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471248 PEIUNIUQYHEFEH-QHCPKHFHSA-N 419.433 5.752 5 1 HKBF c1ccc(Oc2ccccc2Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587949259 CZPADDIDHMGIDD-UHFFFAOYSA-N 402.457 6.042 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCCC1 587226084 OOZQSOUJMGXTLC-QGZVFWFLSA-N 417.513 5.415 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)CC2=O 587472369 HRURMTXLGKTNOZ-OAQYLSRUSA-N 404.422 5.021 5 1 HKBF O=[N+]([O-])c1cc(-c2cccs2)ccc1C[C@@H](O)c1ccc(-c2ccncc2)cc1 1857754957 LJVCFCIADIVOGX-JOCHJYFZSA-N 402.475 5.661 5 1 HKBF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82219911 OXCYRWCOHMZJRN-IFXJQAMLSA-N 423.542 5.728 5 1 HKBF O=C1C[C@@H](c2ccc(F)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95592372 CUGGXUDATWGDNO-NRFANRHFSA-N 408.454 5.504 5 1 HKBF C[N+](C)(CCCCCOc1ccc(Cl)cc1)Cc1ccc(Br)o1 169318425 HNWFZLXVPLGBHZ-UHFFFAOYSA-N 401.752 5.521 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1[N+](=O)[O-] 587783636 DBCBXPSSIPCLJH-DHZHZOJOSA-N 416.393 5.129 5 1 HKBF O=[N+]([O-])c1ccc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)o1 40952998 NRRJMHVVTPYTDQ-UHFFFAOYSA-N 406.238 5.353 5 1 HKBF COc1ccc2oc(-c3c4ccccc4cc4ccccc34)c(CCNC(C)=O)c2n1 653793874 JGDWOMBMESZUJI-UHFFFAOYSA-N 410.473 5.488 5 1 HKBF COc1cccc(-c2nc3c([nH]2)c2c4c(ccc2c2occ(C)c32)C(C)(C)CCC4)c1 1857766398 STRAEGJQNBANPG-UHFFFAOYSA-N 410.517 7.060 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)o1 587264488 GNWJHXLIUFCMQB-UHFFFAOYSA-N 419.622 5.209 5 1 HKBF O=C(c1c(C(F)(F)F)cnc(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280118 JXQLXNUTZJEGEQ-UHFFFAOYSA-N 405.115 5.293 5 1 HKBF CCC(=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N[C@@H]4O)CC 1857601436 VGLVHFMCQWDLTM-AREMUKBSSA-N 423.516 5.979 5 1 HKBF Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2n1 587038881 UJAKQHZMYSPWHA-UHFFFAOYSA-N 419.491 5.602 5 1 HKBF Cc1c(Cl)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1[N+](=O)[O-] 587104342 RKXBYBMAAZFDGQ-UHFFFAOYSA-N 416.820 5.689 5 1 HKBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335346 LDJRNDUMTJWVPK-JTHBVZDNSA-N 407.397 5.022 5 1 HKBF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 963268928 BGFWTIOZTVRFBS-QFIPXVFZSA-N 410.857 5.284 5 1 HKBF CC(C)C/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5421228 CEWUIYZNVOQBRR-RMLRFSFXSA-N 418.544 6.431 5 1 HKBF CC(=O)O[C@@H]1C(=O)N(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccccc1 29313500 ILKQFKSUSNMSPX-UIOOFZCWSA-N 405.453 5.604 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)cc2[nH]1 586968338 CHNORWSBCQOZIJ-UHFFFAOYSA-N 406.305 5.649 5 1 HKBF Clc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccnc1Br 587006573 HXJMDZZJTCQUIT-UHFFFAOYSA-N 408.686 6.347 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 587082948 XHDLNBXRZJSKRG-UHFFFAOYSA-N 417.812 5.107 5 1 HKBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613033 MKVJFIXMVROEIU-KNQAVFIVSA-N 423.446 5.115 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(C(C)(C)C)cc3)c2c1 653707177 PWDTYNZNNCMNOZ-UHFFFAOYSA-N 404.941 6.382 5 1 HKBF Brc1ccc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cn2c1 587006172 JKWDEVAYIRGGSX-UHFFFAOYSA-N 414.266 5.342 5 1 HKBF CCc1ccc(-c2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)cc1 587015755 JVEGINHOXOPPMQ-UHFFFAOYSA-N 407.502 6.012 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@]1(C)C[C@H](O)CC2(C)C 257426728 GMQZSQMIENYQEB-JZEFLIBBSA-N 410.598 5.751 5 1 HKBF endogenous,in-man Brc1cnc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cnn2c1 587007671 CKBVXQUWBRGMBG-UHFFFAOYSA-N 414.266 5.342 5 1 HKBF Cc1nn(-c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c(C)c1Cl 587065185 LNVCQTXKORZJPN-UHFFFAOYSA-N 422.919 6.992 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)cc1 587272602 WCOMZVKGTIRQRS-UHFFFAOYSA-N 403.291 5.487 5 1 HKBF O=C1N[C@H](O)c2c1c1c3cc(CC4=CCCCC4)ccc3[nH]c1c1[nH]c3ccccc3c21 1857547814 OOLAPUBGFXHZAQ-AREMUKBSSA-N 421.500 5.733 5 1 HKBF CC(=O)Oc1ccc2oc3cc(OCC=C(C)CCC=C(C)C)cc(O)c3c(=O)c2c1 2356811124 BEKGTXVPCAJYLW-UHFFFAOYSA-N 422.477 5.649 5 1 HKBF CC(C)[C@@H]1N=C(C2CCCCC2)c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C1=O 66073602 GECHVPJIUKKQHY-QHCPKHFHSA-N 419.525 5.536 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3O)nc3cccc1c23 587103107 BUDULIIZNWCFOG-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3c3ncccc23)N1 587778532 LURFLJPQBMNYTD-VERVWZFWSA-N 422.301 5.308 5 1 HKBF CC(=O)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1 1857550202 AUYMGFBGOAOJJN-SFHVURJKSA-N 424.909 6.161 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1F 587082404 MWICPWZJCACFAB-UHFFFAOYSA-N 418.815 6.146 5 1 HKBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)nn2)c1 587270185 RQORXOTXQQMYLP-UHFFFAOYSA-N 406.405 5.025 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750104 GKYOCOSAVRWLQA-WYRIXSBYSA-N 415.262 5.273 5 1 HKBF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 253632587 ANLHBKWHZRLXRB-BOXOCKBYSA-N 407.513 5.623 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)(C)C 587204798 LNYBXSLSHAUCHU-FQEVSTJZSA-N 419.529 5.141 5 1 HKBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587246651 DSPGYIHRAFIQHV-UHFFFAOYSA-N 408.845 5.539 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 587264770 SQFWDGNTDVFNEJ-CYBMUJFWSA-N 411.458 5.120 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587270262 KYFBUQLILXWOJY-UHFFFAOYSA-N 418.416 5.297 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074272 VVKODUDPXSPXGG-OBGWFSINSA-N 403.869 6.298 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587471784 UYGWQAFIHNYWHH-QHCPKHFHSA-N 419.433 5.752 5 1 HKBF O=[N+]([O-])c1ccc2c(Nc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2c1 587644525 ZAIRPIVINLPWFE-UHFFFAOYSA-N 408.255 6.249 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2n(C)c2ccc(Cl)cc12 101703405 PNPOQWXFATWNBY-QGZVFWFLSA-N 423.004 6.407 5 1 HKBF CC(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747846 QKTJFIAXSAZMCT-WYRIXSBYSA-N 407.283 5.243 5 1 HKBF Cc1cc2c(cc1Sc1ccccc1)[n+]([O-])c1cc(Cl)c(Cl)cc1[n+]2[O-] 27211062 BMZAQRTXVGSXBP-UHFFFAOYSA-N 403.290 5.026 5 1 HKBF CC/C=C\C/C=C\CC/C=C\CC/C=C\CCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C 32790538 UQCYGYDOQKYSDD-DEPSGMSKSA-O 420.614 5.445 5 1 HKBF endogenous,in-man CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2[nH]c3ccccc3c12 40939628 LXYHGBBKOVZZDY-MRXNPFEDSA-N 408.977 6.445 5 1 HKBF COP(=O)(OC)[C@H](Nc1ccc(C)cc1)c1c2ccccc2cc2ccccc12 82156798 RSNBYPMCVJANAT-DEOSSOPVSA-N 405.434 6.898 5 1 HKBF O=C(c1c(C(F)(F)F)cccc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280420 WOFAPSYZIUBZBL-UHFFFAOYSA-N 403.234 5.610 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587498620 FFCXBELCOJBSQB-QFIPXVFZSA-N 423.852 6.094 5 1 HKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2NCCc3c2sc(C)c3C)cc1 963016751 ZYBCVQYZXZCOCX-NRFANRHFSA-N 410.564 5.968 5 1 HKBF Cc1nc(COc2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cs1 587020013 BUSXXHNGIVPGFO-UHFFFAOYSA-N 423.501 5.670 5 1 HKBF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3[N+](=O)[O-])nc3cccc1c23 587104955 ZMMPEIHFYUVUIS-UHFFFAOYSA-N 400.821 5.599 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3c3ccccc23)N1 587824620 XUDPGOWILUKCLW-SHACYNPGSA-N 420.325 6.518 5 1 HKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCCn2ccc3ccccc32)cc1 13524927 IDCAFLAESOUUJU-UHFFFAOYSA-N 421.605 5.965 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cc(Cl)ccc4Cl)cc3)[C@@H]1C2 95566167 QLHVQFVWJBVKAE-REWPJTCUSA-N 415.428 7.229 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2ccc(Cl)cc12 169338997 SHSBMQHKNMIIIG-YWZLYKJASA-N 407.863 6.231 5 1 HKBF Cc1cnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 587037625 LENWNACYQYABKZ-UHFFFAOYSA-N 419.491 5.602 5 1 HKBF CC(C)CCOc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160061 DVTOWXQXZTWDIU-UHFFFAOYSA-N 422.254 5.465 5 1 HKBF O=[N+]([O-])c1ccc(-c2cn3cccnc3[n+]2C2CCCCCCCCCCC2)cc1 66113442 UUDGBLZNVMGXNP-UHFFFAOYSA-N 407.538 6.043 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 95588180 DEKATNVGSPOALX-QQXGHWHYSA-N 415.537 6.841 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Cl 587047063 AELLEDVCLMMZLV-DUXPYHPUSA-N 414.046 5.106 5 1 HKBF Fc1c(F)c(F)c(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1F 587134511 MHPBYADBEBOWTM-AATRIKPKSA-N 412.321 5.525 5 1 HKBF Cc1cc(Br)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2c1 587270749 SDPIXXKNUMNLJR-UHFFFAOYSA-N 409.243 5.271 5 1 HKBF O=C1c2ccc(O)cc2O[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)[C@H]1c1ccc(F)cc1 587341971 KYQYIRCAASZXEH-LADGPHEKSA-N 419.408 5.104 5 1 HKBF c1ccc(CN(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c2ccccc2)cc1 587196795 WZYJBHMZVWALDN-UHFFFAOYSA-N 415.500 5.866 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)c2c1 587641080 FCVCSFNHLCFPRW-INIZCTEOSA-N 413.477 6.509 5 1 HKBF O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644730 LXFYXHFTVXYCGO-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(Cl)c(Cl)cc12 169338878 ITHVUGSODBQBFW-SZNDQCEHSA-N 408.756 6.519 5 1 HKBF C[N+](C)(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299844553 FINNHRGATNRBCD-JLHYYAGUSA-N 417.964 5.725 5 1 HKBF Clc1ccc(CN2CCC[C@@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587074820 CURMUTNYYKVRNN-LJQANCHMSA-N 413.912 5.650 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587110081 RRGUOGKNRRPZLE-UHFFFAOYSA-N 423.700 5.753 5 1 HKBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2N1 587126470 XFPNMAJTUVRPMV-SGTLLEGYSA-N 421.426 6.040 5 1 HKBF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587195945 PRKHRYCDCCEXAO-UHFFFAOYSA-N 416.865 5.471 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c1 587269519 FJHSGPXHWVEPHA-UHFFFAOYSA-N 413.206 5.102 5 1 HKBF COc1cccc(-c2c(Cc3ccccc3[N+](=O)[O-])c(C)nc3c2oc2ccccc23)c1 587362340 HRWLRMDRJKNFQA-UHFFFAOYSA-N 424.456 6.464 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3Br)c12 587646304 ZWRMKXQBNQHSPT-UHFFFAOYSA-N 411.230 6.312 5 1 HKBF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587782566 QAAQFXJYWRFKGJ-UHFFFAOYSA-N 418.456 5.611 5 1 HKBF COc1ccccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587933523 ZFORAODLKDBPFR-UHFFFAOYSA-N 402.457 6.002 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)o1 587265574 QAFWCYJTYMIXQY-UHFFFAOYSA-N 402.179 5.300 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587860219 OJURMOVDJDBGKV-UHFFFAOYSA-N 418.240 5.029 5 1 HKBF Cc1cc(OCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl 59718551 GNIZGMMVYZAKSX-UHFFFAOYSA-N 415.779 5.783 5 1 HKBF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587077461 YKTDMHKJGAVPMF-UHFFFAOYSA-N 423.863 5.747 5 1 HKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc([N+](=O)[O-])cc21 587469820 GJYFAXQHLCIVHZ-XMMPIXPASA-N 401.418 5.142 5 1 HKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@@H](c4ccccc4F)C3)cc2c1 1857752284 BJAIYWQZIILQTR-HSZRJFAPSA-N 418.449 6.838 5 1 HKBF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 253632588 ANLHBKWHZRLXRB-LSZHYDEQSA-N 407.513 5.623 5 1 HKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587121449 DWGIQPAVSAHTQY-UHFFFAOYSA-N 420.372 5.469 5 1 HKBF c1ccc(C[C@@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587956387 ZGTDSODVUSWEAL-FQEVSTJZSA-N 400.485 6.034 5 1 HKBF O=[N+]([O-])c1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1 29344385 UEFZKRWCBHMIDQ-UPVQGACJSA-N 402.494 5.064 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896925 URFRKKQEWDQFPG-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF Cc1c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980042 NSJVTTSIWCUETP-UHFFFAOYSA-N 416.153 5.108 5 1 HKBF O=[N+]([O-])c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1F 587041036 UHQZADXCXJMSGQ-UHFFFAOYSA-N 406.442 5.456 5 1 HKBF Cc1ccccc1-n1c(C)nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c1=O 28646044 OOSOOWASBRWCSH-UHFFFAOYSA-N 411.892 5.871 5 1 HKBF Cc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587340949 XIODCLKLQNJLOP-LADGPHEKSA-N 421.424 5.108 5 1 HKBF C[C@@]1(c2ccc(Br)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587505079 UHFFJASPYQWRBY-FQEVSTJZSA-N 416.271 5.117 5 1 HKBF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C 2356583740 FPSYVUBUILNSRF-UHFFFAOYSA-N 402.666 9.709 5 1 HKBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174627 OSFUAZSCXBUDLS-KBPBESRZSA-N 423.542 5.274 5 1 HKBF COC(=O)c1cccc2nc3cc(C(=O)c4ccc(Cl)cc4Cl)ccc3nc12 103221370 LXYVZNWOUIGKKA-UHFFFAOYSA-N 411.244 5.107 5 1 HKBF CSc1cccc(N=c2[nH]c(-c3ccc(Br)c([N+](=O)[O-])c3)cs2)c1 473087903 MEFMEKWYDMOMKU-UHFFFAOYSA-N 422.329 5.368 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cc1ccc4cccc5ccc3c1c45)O2 587409025 TWMYFMSRJPPWSF-GDLZYMKVSA-N 417.508 6.672 5 1 HKBF O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1 28571464 BYAPJMDTHMHWTA-GOSISDBHSA-N 411.870 5.301 5 1 HKBF Cc1ccc2c3c(c4c(nc13)CCc1cc([N+](=O)[O-])ccc1C4)-c1ccccc1C2=O 587097062 GZOFOSOUOFGVNH-UHFFFAOYSA-N 406.441 5.352 5 1 HKBF Cc1cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2cc1Br 587271547 FHVFFVAVYXOMFP-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF C[C@@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)NCCc2cc(Cl)ccc21 963390518 KNATXKGWLNWLPH-DEOSSOPVSA-N 405.881 5.040 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4Cl)c(Cl)c3)[C@@H]1C2 95564738 KQPYCBLXSBIJFU-UGKGYDQZSA-N 415.428 7.229 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587095009 MEOZXXKAIUJDQL-UHFFFAOYSA-N 420.225 5.084 5 1 HKBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587121856 NRMHMDZODXYSPT-UHFFFAOYSA-N 422.750 5.547 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587384349 KOOKXFXGHNSOCN-OAQYLSRUSA-N 408.385 5.123 5 1 HKBF Cc1ccc(-c2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)o2)c([N+](=O)[O-])c1 963121518 MAYJQZLHFVUFLN-FQEVSTJZSA-N 403.265 5.705 5 1 HKBF Cc1n([C@@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 96915320 NJVAHWWSIBJBEJ-KRWDZBQOSA-N 412.469 5.549 5 1 HKBF CCc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)c([N+](=O)[O-])c1 587105155 QNTXRFVVLCLSEM-UHFFFAOYSA-N 410.429 5.592 5 1 HKBF O=c1c2ccc(Nc3ccc(OC(F)(F)F)cc3)cc2[nH]c2cc(F)cc(F)c12 1911576251 GCHIVQGMNAMGCX-UHFFFAOYSA-N 406.310 5.602 5 1 HKBF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccc2cc3ccccc3cc2c1 36241878 MCMLFDSXANXRLB-UHFFFAOYSA-N 408.866 5.588 5 1 HKBF CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\CO 100880758 GMQZSQMIENYQEB-PCQNESLESA-N 410.598 5.751 5 1 HKBF C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644506 YDWYEBIWIGPSRV-JTQLQIEISA-N 403.232 5.084 5 1 HKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(F)c(O)c([N+](=O)[O-])c(F)c1F 27655448 LBMUODAREIABHC-YFVJMOTDSA-N 413.436 6.516 5 1 HKBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587070300 RSFVQQJBPAANRZ-SECBINFHSA-N 422.666 5.264 5 1 HKBF CCc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(OC)c([N+](=O)[O-])c1 587098658 RNLYQYHGVSACRT-UHFFFAOYSA-N 424.456 5.901 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2c2ccccc12 587603644 QKQBUJOMPAVZIS-LBNVMWSVSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccccc3F)c(-c3ccccc3Br)[nH]c2c1 587645598 FHXXUJAOJQWIAB-UHFFFAOYSA-N 411.230 6.312 5 1 HKBF Cc1sc2c(c1C)CCN[C@H]2c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 963022571 KBPIALVWPAWWCC-FQEVSTJZSA-N 414.914 5.954 5 1 HKBF C[C@H](c1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963097546 GTUYRCALZKFGJL-BYPCIHSKSA-N 416.496 5.802 5 1 HKBF Cc1cccc(-c2ccccc2)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586878368 FZNRGANYWOEKGT-UHFFFAOYSA-N 408.255 5.876 5 1 HKBF CC(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577878 UJNZRKWUPFVUOO-OFNKIYASSA-N 405.406 5.127 5 1 HKBF COc1ccc(-c2nc(N)nc3c2ccc2c4ccccc4[nH]c23)cc1Br 1772637275 KPMDKNGGIDDGPY-UHFFFAOYSA-N 419.282 5.285 5 1 HKBF CN(CCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 1772653665 LVGONHNCUNBLGB-UHFFFAOYSA-N 405.519 5.021 5 1 HKBF CC(O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(=O)CC1(C)C 2356706495 HQUNFTJZYUKGAX-UHFFFAOYSA-N 418.621 8.218 5 1 HKBF Cc1cc(C(=O)CCC2CC[N+](C)(Cc3ccccc3)CC2)nn1-c1ccccc1 13817987 OQDJCMHCDIHYKT-UHFFFAOYSA-N 402.562 5.200 5 1 HKBF CCc1cc2c(cc1OC)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 29125608 CAUGGYDQKLJLKS-UHFFFAOYSA-N 419.437 5.151 5 1 HKBF COc1cc2cc(C(=O)[C@@H]3CCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286903 MLMBMROIKCDDBW-ICCFGIFFSA-N 424.586 5.548 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1-c1cccnc1)N2 64539415 DOLVPPZXPDLQMW-UHFFFAOYSA-N 416.828 5.259 5 1 HKBF Cc1cc(C)c2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339465 ZMCZQUCKJICFDJ-SBUREZEXSA-N 401.472 6.194 5 1 HKBF O=c1c(-c2csc3ccccc23)nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 169342602 FTEZAVKMVVGCEH-UHFFFAOYSA-N 413.458 5.235 5 1 HKBF Cc1ccc2c(c1)c(O)nc1c(C)cc(O)c(-c3ccc([C@@H](C)CN(C)C)cc3)c12 1857609256 JVRAGJVXZWDTNJ-KRWDZBQOSA-N 400.522 5.748 5 1 HKBF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c1 587048704 DMMQJTKYDDMGPM-UHFFFAOYSA-N 412.232 5.924 5 1 HKBF CCCCCOc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Br 587260781 FEPBZWAQODAYHA-UHFFFAOYSA-N 418.291 5.778 5 1 HKBF COc1ccc([C@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587937178 NTEZQOTUICSPCK-SANMLTNESA-N 416.484 5.848 5 1 HKBF C[C@@H](OC(=O)c1ccccc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 29414442 RBPJHVQCUBNCCU-GFCCVEGCSA-N 406.825 5.053 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nn1CC(F)(F)F 587093306 ZSKMTKIHIAVBLX-UHFFFAOYSA-N 411.343 5.203 5 1 HKBF Cc1cc(N(C)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c([N+](=O)[O-])cc1F 587136514 GENDUAOGUVHRHN-UHFFFAOYSA-N 420.444 5.134 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)cc2)cc1 587271521 DYDVAZFRHZHDOE-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF O=[N+]([O-])c1ccccc1N1[C@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276079 UYZAJZQOTRYWCS-QZIBZCQVSA-N 417.468 6.186 5 1 HKBF COc1cccc(-c2cc(-c3ccc(F)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587358714 AZGUNEHTUNWJMH-UHFFFAOYSA-N 414.392 6.371 5 1 HKBF COc1ccc(-c2nc(SC)sc2-c2ccc([N+](=O)[O-])cc2)c(OC)c1OC 103248680 AQFCBGMTHTYXLM-UHFFFAOYSA-N 418.496 5.133 5 1 HKBF Cc1ccc2c3c(cc(-c4c5ccccc5cc5ccccc45)nc13)-c1ccccc1C2=O 587099611 OUNJSKNLHBIFOW-UHFFFAOYSA-N 421.499 7.728 5 1 HKBF COc1cc2c(cc1[N+](=O)[O-])-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587105288 WVUXDMWSBZEPJS-UHFFFAOYSA-N 408.413 5.129 5 1 HKBF Cc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] 587261080 SEWGMIWZOHKFNV-UHFFFAOYSA-N 416.153 5.108 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc([N+](=O)[O-])c1)CC2=O 587472322 GPKOLVUDVXWHSA-XMMPIXPASA-N 403.434 5.162 5 1 HKBF CC(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747836 QKTJFIAXSAZMCT-JEOXALJRSA-N 407.283 5.243 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587754274 XUWHFTORWDIQAO-DGIBIBHMSA-N 419.250 5.040 5 1 HKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)cc2c1 1857638600 QSCWLJDKCZKPQK-HSZRJFAPSA-N 400.459 6.699 5 1 HKBF COc1ccc(-c2c3ccccc3c(-c3ccc(OC)cc3)c3cc(C)ccc23)cc1 2386301 ATDKAHMYKXTVLW-UHFFFAOYSA-N 404.509 7.653 5 1 HKBF C[N+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 31871191 JDISIZOQMXKSRK-XNUZUHMRSA-N 400.365 5.676 5 1 HKBF COc1cc2c(cc1[N+](=O)[O-])-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587096459 BPFSBWUPXKYCTH-UHFFFAOYSA-N 422.440 5.437 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163484 IKTKUSWOMKSMPS-BFUOFWGJSA-N 407.474 5.314 5 1 HKBF COc1cc2cc(C(=O)[C@H]3CCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137752 MLMBMROIKCDDBW-AFMDSPMNSA-N 424.586 5.548 5 1 HKBF c1ccc2c(c1)c1ccccc1c1[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc21 587033336 TWISSHZJRDEPAF-UHFFFAOYSA-N 405.526 6.877 5 1 HKBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587113120 KFWRMGCIJCJGRV-CYBMUJFWSA-N 406.411 6.024 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 34804459 WZFXYQUWHHPOHX-UHFFFAOYSA-O 422.376 5.249 5 1 HKBF Cc1cc2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1[N+](=O)[O-] 587072749 WEJGXVDHROIGOR-DWNNZIHMSA-N 416.308 6.452 5 1 HKBF CCCN(CCC)CCOc1ccc2[nH]c3ccc(Cl)c(Cl)c3c(=O)c2c1 1857574618 DVMJBSGTKDQZMQ-UHFFFAOYSA-N 407.341 5.489 5 1 HKBF CC(=O)Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3cccc([N+](=O)[O-])c3)nc12 1857605037 MLCYJEHISJXYTP-AATRIKPKSA-N 403.221 5.546 5 1 HKBF CC/N=c1/cc2oc3cc(NCCCC(=O)OCC)c4ccccc4c3nc-2cc1C 29057771 VGLBRLDZJVKWRF-XHPQRKPJSA-N 417.509 5.070 5 1 HKBF O=[N+]([O-])c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1F 587001142 LLUOFLZXZWKPHT-UHFFFAOYSA-N 416.206 5.105 5 1 HKBF Cc1nc(COc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cs1 587020320 NFVZFOKSZZJYFA-UHFFFAOYSA-N 423.501 5.670 5 1 HKBF O=C1C[C@@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512417 NQYKDOQGZAXDJL-QFIPXVFZSA-N 400.434 5.242 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccc4ccccc4c23)N1 587824865 ZLUGGJJRSMQLFI-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF COc1ccc(-c2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)cc1OC 587928794 MAOJCMNLACZQHA-UHFFFAOYSA-N 409.829 5.476 5 1 HKBF c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(OCc2cscn2)c1 587029600 QZNFHXARYOZABZ-UHFFFAOYSA-N 407.498 6.572 5 1 HKBF O=[N+]([O-])C[C@@H](c1cccs1)c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)ccc12 1857596000 HAXLMARHWZURLI-INIZCTEOSA-N 400.862 6.098 5 1 HKBF CCN(CC)CCCNc1ncc(C)c2c1c1c3ccc(OC)cc3ccc1n2C 29320011 ANDQCGUILYOHRY-UHFFFAOYSA-N 404.558 5.341 5 1 HKBF CCOC(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c1 587135590 IVYRUMXETFIKJU-UHFFFAOYSA-N 419.412 5.429 5 1 HKBF Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587644672 ABJAHSXBDQJRDI-UHFFFAOYSA-N 409.829 5.184 5 1 HKBF O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644808 ONIFOFKJYWSISY-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCC[C@@]23c2ccsc2CCN3Cc2cccnc2)cc1 963003966 FCZZEHGIYKXXRL-OFNKIYASSA-N 405.523 5.273 5 1 HKBF O=C(Nc1ccc(Nc2ccc(Cl)cc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 29217005 AIRFLUZYZLMDBM-UHFFFAOYSA-N 418.236 5.603 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 29337618 GYPXWNCFOYKYOY-IBGZPJMESA-N 406.269 5.213 5 1 HKBF Brc1ccc2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cn2c1 587006993 WCLIKHRPROFKML-UHFFFAOYSA-N 414.266 5.342 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cccc2c1ccc1cc(Cl)c(Cl)cc12 32187806 GQLOMOUEUFLTRY-DEOSSOPVSA-N 418.408 7.235 5 1 HKBF Brc1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C2CC2)s1 587013262 QRCUITNHINOVIH-UHFFFAOYSA-N 420.335 6.633 5 1 HKBF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329934 AXUPPWAZSMRDQA-GGAORHGYSA-N 407.397 5.022 5 1 HKBF O=C1C[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507886 CNJPWDMAIPQQRC-QHCPKHFHSA-N 406.482 5.170 5 1 HKBF O=[N+]([O-])c1ccc(-c2ncncc2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 1772615704 STPZKAXBJAAKSO-UHFFFAOYSA-N 403.238 5.349 5 1 HKBF COc1ccc2cc(-c3nc4cc(Cl)ccc4[nH]3)c3cc(OC)c(OC)cc3c2c1 1857644621 KIZQXBPAQGTSPS-UHFFFAOYSA-N 418.880 6.216 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 101115738 USMUDLPXXBPJQV-YVHKJVDXSA-O 418.388 6.011 5 1 HKBF Cc1cc2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1[N+](=O)[O-] 587072751 WEJGXVDHROIGOR-NWPWJEHNSA-N 416.308 6.452 5 1 HKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN32)cc1 963098033 FWWVGRXKLSQXKM-XMSQKQJNSA-N 405.429 5.031 5 1 HKBF O=C(O)c1cc2ccccc2cc1Nc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 84705672 DBRMVZXZTMRASR-UHFFFAOYSA-N 414.417 5.769 5 1 HKBF Cn1c2nc3ccccc3c-2c(NCCCNC(=O)Nc2ccccc2)c2ccccc21 103076814 WBAQHUBSHDUEQO-UHFFFAOYSA-N 423.520 5.455 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069556 JNUIUSJUYSOMMO-SFQUDFHCSA-N 421.859 6.437 5 1 HKBF COC(=O)c1ccc(Oc2ccc3nc(-c4cccc([N+](=O)[O-])c4C)[nH]c3c2)cc1 587261190 XXGLOEKLCLXWGG-UHFFFAOYSA-N 403.394 5.025 5 1 HKBF O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646405 RQWMQUSWHYPJQX-UHFFFAOYSA-N 423.375 5.597 5 1 HKBF C[C@@H](Cc1ccccc1[N+](=O)[O-])[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587749825 ZNGXJNTWAAHURD-MRRFBWAASA-N 421.310 5.125 5 1 HKBF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2ccc3ccc4ccccc4c3c2)cc1 45196272 PKFISDCWNQVISS-QYBDOPJKSA-N 413.517 5.034 5 1 HKBF COc1cccc2c1CCC[C@H]2CCC[N+]1(C)CC[N+](C)(C2CCCCC2)CC1 45287894 SEIKRMHLHSCJNZ-ZJOVHXHXSA-N 400.651 5.135 5 1 HKBF O=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl 95583119 GIQMATYCAIMWNC-UHFFFAOYSA-N 411.776 5.448 5 1 HKBF Cn1c2c3ccccc3nc-2c(NC2CCN(Cc3ccccc3)CC2)c2ccccc21 169729273 IPYAAGNZQRZURP-UHFFFAOYSA-N 420.560 5.908 5 1 HKBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587235426 MOOOTSXZINIKRP-HUUCEWRRSA-N 417.513 5.210 5 1 HKBF COc1cc2cc([C@@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 13818029 MLFLAFFZWZJJPF-YOYMELPUSA-N 412.575 5.009 5 1 HKBF C[C@@](O)(CSCc1cccs1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820629 PDMKXGNQTLGJAY-MRXNPFEDSA-N 416.446 5.297 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Cl 587047064 AELLEDVCLMMZLV-RQOWECAXSA-N 414.046 5.106 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587071615 LKHNGRYMQNYJLK-ZQVQTSOTSA-N 402.281 6.144 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3nc3ccccc23)N1 587777495 IGYFKABBNHGYLE-JCQPUDPBSA-N 421.313 5.913 5 1 HKBF CC1(C)CC(=O)c2cc([N+](=O)[O-])c(N[C@H]3CC=C(c4ccc(F)cc4)CC3)nc2C1 28967932 VVQQXRIABZWWSQ-KRWDZBQOSA-N 409.461 5.332 5 1 HKBF Cc1cc(C)c2cc([C@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339470 ZMCZQUCKJICFDJ-UZUQRXQVSA-N 401.472 6.194 5 1 HKBF C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857613415 GNFQGDSMFOLXHL-SNVBAGLBSA-N 402.369 5.120 5 1 HKBF Brc1ccc2[nH]c3c(ncc4[nH]c5ccc(Br)cc5c43)c2c1 26491111 NZEYMSYVGMOPCM-UHFFFAOYSA-N 415.088 5.876 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587751107 KTCSFDLRNKBVIN-FKIZINRSSA-N 421.310 5.224 5 1 HKBF CC[N+](C)(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1 95563226 LQJYMJFNGHNDOF-UYJNAUHUSA-N 410.363 5.250 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(C(F)(F)F)cccc12 169337743 BGRYFOTVYRZUPY-YWZLYKJASA-N 407.863 6.231 5 1 HKBF Cc1ccc2c3c(cc(CC(=O)c4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O 587099039 WCDLRVYLODRUQN-UHFFFAOYSA-N 408.413 5.088 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)cc(Cl)cc4[nH]3)cc2)cc1 587272542 UWQSRBRAKXZWNI-UHFFFAOYSA-N 400.221 6.237 5 1 HKBF CC(C)=CCCC(C)=CCC[C@H](C)C=CC(=O)NC[C@@H]1CC[N@@+]2(C)CCCC[C@@H]12 2356319480 IUUKDWXSYSAIGO-HQQJGFCBSA-O 401.659 5.787 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12 169333879 WNOUKWQFGLKTOD-CPJSRVTESA-N 416.952 6.274 5 1 HKBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587075169 DONKZPZOGRUTJA-UHFFFAOYSA-N 408.892 6.684 5 1 HKBF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587120645 BZELPCUAQVZJKU-UHFFFAOYSA-N 422.292 5.087 5 1 HKBF COc1cccc(-c2cc(F)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587160076 FMKINJRPSHKYNZ-UHFFFAOYSA-N 420.447 6.141 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169338523 KGGACDZQLVHVBN-HRAATJIYSA-N 407.863 6.231 5 1 HKBF CC[C@@H](Oc1ccc(Br)cc1)c1nnc(Nc2ccc([N+](=O)[O-])cc2)o1 169702790 SZBQGYMDGGSKBT-OAHLLOKOSA-N 419.235 5.014 5 1 HKBF Cc1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587073514 KBHWUOQXDFYCGR-XMHGGMMESA-N 417.896 6.606 5 1 HKBF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587076098 IXDWGLKPBVXZCH-UHFFFAOYSA-N 423.863 5.747 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CCC1)CC2=O 587470789 LUHJKKMMHLHPHG-DEOSSOPVSA-N 420.465 5.395 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 5893098 TWEGXMUDMUOBQW-VWLOTQADSA-N 413.477 5.573 5 1 HKBF CC1(C)C[C@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)cc(-c3cccc(O)c3)c2O1 169328473 YPIVQVHBBKBBPV-OAQYLSRUSA-N 409.869 6.314 5 1 HKBF Cc1cc(Cl)ccc1OCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587066731 QNQANMBWQYLVPF-UHFFFAOYSA-N 424.682 5.207 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587164637 UNRUMUQHBFJVTF-UHFFFAOYSA-N 418.247 5.768 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cccc2c1ccc1cc(Cl)c(Cl)cc12 32187805 GQLOMOUEUFLTRY-XMMPIXPASA-N 418.408 7.235 5 1 HKBF Cc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Cl 587054290 JMULWBGRSKBCCJ-QGZVFWFLSA-N 421.284 5.213 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cnc(C(F)(F)F)cc4[nH]3)cc2)cc1 587271878 KKVHHIGBVPXIBO-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335342 LDJRNDUMTJWVPK-GGAORHGYSA-N 407.397 5.022 5 1 HKBF CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1nc(O)c1ccccc12 1857750407 UUPGJEIOTSHDTL-UHFFFAOYSA-N 403.322 5.358 5 1 HKBF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 1591934 FUXMBPSLHZVANC-DHLKQENFSA-N 402.925 5.884 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Cl 587050902 VEZYRYSPTKLFNW-YRNVUSSQSA-N 407.882 6.446 5 1 HKBF O=C1C[C@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587504173 GGJXBLSUTLTKIH-VWLOTQADSA-N 417.436 5.522 5 1 HKBF O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1 64527745 DIZPXIPTIAFZLP-UHFFFAOYSA-N 409.405 5.165 5 1 HKBF Cc1ccc(-c2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c(C)s2)cc1 587011763 CIZHOTIXXTZDGP-UHFFFAOYSA-N 407.502 6.067 5 1 HKBF O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645068 JUORVPRZWOEEJE-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1 587923503 UBXBIYUGGNMDAQ-UHFFFAOYSA-N 415.449 6.673 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963095613 DCERQQWCTDWBMM-SQJMNOBHSA-N 402.469 5.355 5 1 HKBF C[n+]1ccc(-c2c3ccccc3c(-c3cc[n+](C)cc3)c3cc(C(C)(C)C)ccc23)cc1 1911575329 RZAREKCKUKUPMT-UHFFFAOYSA-N 418.584 6.274 5 1 HKBF c1ccc2c(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3ccccc3cc2c1 96905419 RSZLRQUBNOSTIP-UHFFFAOYSA-N 422.531 8.136 5 1 HKBF C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1)C2 1911570678 KBNPGVPUYYZVTB-VUKQLWBESA-O 407.868 5.073 5 1 HKBF Oc1ccc(Nc2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 587242719 QBMBWROIPYEWKS-UHFFFAOYSA-N 403.445 5.776 5 1 HKBF O=[N+]([O-])c1ccc(OCc2ccsc2)cc1/C=C(/CO)c1ccccc1Cl 13780371 ANMVATUFZROAEI-SXGWCWSVSA-N 401.871 5.422 5 1 HKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccccc1[N+](=O)[O-] 58582669 GAVAHJLMRBHYHI-UHFFFAOYSA-N 424.497 5.391 5 1 HKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])ccc2C3)c1 587364036 ZERNQPDPARXUBC-UHFFFAOYSA-N 408.413 6.136 5 1 HKBF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163523 BGRKMQNENMJTCC-UHFFFAOYSA-N 407.474 5.316 5 1 HKBF CCc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174286 WZBQFGISSHIVNV-UHFFFAOYSA-N 423.542 5.730 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Cl 587047355 HJUWPSCPUKVTQG-SOFGYWHQSA-N 401.813 5.391 5 1 HKBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587066398 MLQBRVUNYVTSMU-UHFFFAOYSA-N 409.880 6.079 5 1 HKBF O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@H](c2ccccc2)c2ccccc21 40877611 JABOSEYKEDBRSD-SANMLTNESA-N 420.468 5.935 5 1 HKBF O=C(Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12)C(F)(F)F 95560854 UDDAJBDIPCZSPG-UHFFFAOYSA-N 405.379 5.809 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1[N+](=O)[O-] 587577312 RVOVPSDLKPHSPS-RDPSFJRHSA-N 413.385 5.157 5 1 HKBF O=C1c2ccccc2N/C(=C\C=C2/C=Nc3ccccc32)N1c1ccc([N+](=O)[O-])cc1 13123225 AOMXWLNTHJVUQA-IOXJFGSESA-N 408.417 5.308 5 3 HKBF O[C@]1(c2ccc3ccccc3c2)c2c(c3ccccc3c3ccccc23)C2=NCCN21 6041420 VEOHXIUSARYQDP-MUUNZHRXSA-N 400.481 5.415 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082791 UQUOVOXDKSZZNZ-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc2c(c1)C(C)(C)CC(C)(C)S2 1857617457 FZGLAQUAPTUPMN-UHFFFAOYSA-N 415.515 5.799 5 1 HKBF O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 1591935 FUXMBPSLHZVANC-WIOPSUGQSA-N 402.925 5.884 5 1 HKBF COCCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299858567 DURBPTOEENKJRD-FMIVXFBMSA-N 403.913 6.055 5 1 HKBF COc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(C)cc1[N+](=O)[O-] 586987925 VKHAOMHNLPOVOV-UHFFFAOYSA-N 412.401 5.044 5 1 HKBF CC(C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 2481947 VTWRMHZILABJKA-UHFFFAOYSA-N 420.252 5.362 5 1 HKBF CC1(C)C=Cc2c(cc3c4c2sc2ccccc2c4nn3CCN2CCCC2)O1 26579820 MBTSRQBWVVDTFA-UHFFFAOYSA-N 403.551 5.684 5 1 HKBF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587121606 HAZNSYIDFOWFQI-UHFFFAOYSA-N 406.295 5.032 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587151296 WVEGEBSRDHOTCU-UHFFFAOYSA-N 412.218 5.707 5 1 HKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCC 4214423 AZXBVHJRHKMVAJ-RBUKOAKNSA-N 409.914 5.178 5 1 HKBF CCCCCc1nc(-c2cnc(N[C@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163793 HDFWTZJWCUDZMO-OAHLLOKOSA-N 423.517 5.958 5 1 HKBF CNc1cccc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587233182 JYGUHTYNXKBWTB-UHFFFAOYSA-N 401.473 6.035 5 1 HKBF Cc1c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cccc1[N+](=O)[O-] 587260716 AXKPKGIPRQSRNL-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF O=c1c(-c2cccc(F)c2)coc2c1c(O)cc1occ(-c3ccccc3F)c(=O)c12 653884646 ORJPFQZBBUVRTA-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163409 RLZFFBHBMAVENF-UHFFFAOYSA-N 405.483 5.541 5 1 HKBF CCCCNc1ccc(-c2nn3cc(-c4ccc(OC)cc4)nc3s2)cc1[N+](=O)[O-] 103231233 DMVYJXWJPSPGOC-UHFFFAOYSA-N 423.498 5.254 5 1 HKBF CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3ccc([N+](=O)[O-])cc3)ccc21 103245978 CSHKTDATABJRSU-VWLOTQADSA-N 420.484 5.517 5 1 HKBF Cc1cc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587109832 KCCMLSZEXIQDPP-UHFFFAOYSA-N 403.282 5.408 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587135917 RTFXLQBTZOZDMG-UHFFFAOYSA-N 416.239 6.559 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1C)CC2=O 587473123 QEGIMGVDBMOYRW-JOCHJYFZSA-N 406.438 5.059 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2=O 587494147 JNDDWTLXUMDQNR-LJQANCHMSA-N 410.451 5.083 5 1 HKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc([N+](=O)[O-])cc1 587627757 JLOMINKQPMZXIO-UHFFFAOYSA-N 416.277 5.653 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3c3ccccc23)N1 587818443 DHIUFQWZGZBXGF-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF O[C@@H](CC1CC2CCC(CC2)C1)c1cc2ccccc2c2cc(Br)ccc12 169338101 XARLJFSVTZFUHL-BCTDWGSLSA-N 423.394 7.395 5 1 HKBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587109375 NVKDLCOFUPJQLL-UHFFFAOYSA-N 408.339 5.043 5 1 HKBF O=[N+]([O-])c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Cl 587150519 LIDOSWRWTXPIFH-IBGZPJMESA-N 415.783 5.571 5 1 HKBF CN(C)C(=O)[C@H]1C[C@H](c2cc3ccccc3c3ccccc23)N(Cc2ccccc2)O1 84614857 AEWSHDITCBZOQY-CLJLJLNGSA-N 410.517 5.328 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335719 MDTADCBAMRIWOK-LADGPHEKSA-N 421.424 5.494 5 1 HKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c3ccccc3cc3cccc1c23 587487240 ZQFHNQBTPLRQHJ-HHHXNRCGSA-N 408.453 5.708 5 1 HKBF COc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587930108 CRLVVOPHNTVOCU-UHFFFAOYSA-N 424.254 5.576 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956555 SUOWLOMPGFFPGP-MRXNPFEDSA-N 422.282 5.608 5 1 HKBF CC(C)=CCC/C(C)=C/CC[C@H](C)/C=C/C(=O)NC[C@@H]1CC[N+]2(C)CCCC[C@H]12 5810538 IUUKDWXSYSAIGO-VFUWQNRISA-O 401.659 5.787 5 1 HKBF in-vitro CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586983380 ZYONLRKKNHTTLE-AWEZNQCLSA-N 402.292 5.606 5 1 HKBF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587062427 SKPLUWODYZXTCU-ZDUSSCGKSA-N 410.655 5.417 5 1 HKBF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)Nc1ncc([N+](=O)[O-])s1 1772581874 AZFUEMHWFBHLKW-UHFFFAOYSA-N 423.281 5.283 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 95588178 DEKATNVGSPOALX-GGCQMZMESA-N 415.537 6.841 5 1 HKBF COc1ccc(Cc2cc3c(=O)n(-c4ccccc4F)cnc3c3ccccc23)cc1 138549351 NUBHUGJULIBOKD-UHFFFAOYSA-N 410.448 5.277 5 1 HKBF O=[N+]([O-])c1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc12 3815291 CHSSRCXGDCYIHR-UHFFFAOYSA-N 401.245 5.259 5 1 HKBF CCCN(CCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338425 KIHPGLBQKGQNEH-JOCHJYFZSA-N 424.799 7.109 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)ccc12 169338987 HSHXKUQLSQCFHT-SPLOXXLWSA-N 408.756 6.519 5 1 HKBF Brc1n[nH]c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc12 587008617 ZIKBCIDPSVMBFO-UHFFFAOYSA-N 413.278 6.175 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Cl 587047777 MUHLPJXAUHJHLO-SOFGYWHQSA-N 401.813 5.391 5 1 HKBF COc1cc2nc(-c3cccs3)nc(Nc3cccc([N+](=O)[O-])c3)c2cc1OC 5853586 KFQRHWQXZWQVRU-UHFFFAOYSA-N 408.439 5.027 5 1 HKBF Fc1ccc(/C=C(/c2nc3c4ccccc4c4ccccc4c3[nH]2)c2cccs2)cc1 587164428 QKDQQPSHHZKCSA-XQNSMLJCSA-N 420.512 7.659 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2)cc1 587271304 BPYBYIUNQMEHDC-UHFFFAOYSA-N 403.291 5.487 5 1 HKBF Cc1ccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587340959 XIODCLKLQNJLOP-UPVQGACJSA-N 421.424 5.108 5 1 HKBF COc1cccc(-c2[nH]c3cc(Cl)ccc3c2[C@H](C[N+](=O)[O-])c2cccs2)c1 1857557511 QZIJBQVNFCIXKQ-QGZVFWFLSA-N 412.898 5.967 5 1 HKBF COc1c(O)cc2oc3cc(O)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C 169345099 HPZRMYXEESOBKU-UHFFFAOYSA-N 414.498 5.249 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586895341 XIGKPUAFUGYPQX-UHFFFAOYSA-N 424.254 5.060 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)nc2[nH]1 586968707 HVBXQPYRTWDCJX-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587069463 DIWFGGNUFUGPCY-RMKNXTFCSA-N 423.831 6.013 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1c3ccccc3c(C=O)c3ccccc13)CC2=O 587486057 WWLINZWFMKCJQD-RUZDIDTESA-N 410.469 6.170 5 1 HKBF O=C1C[C@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513810 UOOABAKDGJRGKY-XMMPIXPASA-N 415.445 5.972 5 1 HKBF O=C(c1c(-c2cccc(OC(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645347 RGYUDCZOEJSOAN-UHFFFAOYSA-N 400.259 5.090 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587956554 SUOWLOMPGFFPGP-INIZCTEOSA-N 422.282 5.608 5 1 HKBF CCCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 1772582251 YBFIUNYMSHETCF-UHFFFAOYSA-N 418.453 5.444 5 1 HKBF O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1 40403468 OQUIJDUEQBWNOI-JOCHJYFZSA-N 411.417 5.057 5 1 HKBF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2ccc3ccc4ccccc4c3c2)cc1 45196275 PKFISDCWNQVISS-DWXRJYCRSA-N 413.517 5.034 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998534 MBHWVFARIQDZDM-LUAWRHEFSA-N 410.227 5.664 5 1 HKBF O=C1C[C@H](c2cc([N+](=O)[O-])c(Br)cc2F)Oc2c1ccc1c2CCCC1 587509254 XYGUNCPOQGVNOC-GOSISDBHSA-N 420.234 5.082 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3nc4ccccc4o3)c(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 587646346 PIYVWDBLMSLIKH-UHFFFAOYSA-N 423.350 6.570 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3nc3ccccc23)N1 587777497 IGYFKABBNHGYLE-NPMABZOXSA-N 421.313 5.913 5 1 HKBF CCOC(=O)/C(=C/Nc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 72175320 BOIBGYLCWVXQKX-XQNSMLJCSA-N 418.449 5.190 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587269877 SKFGFDFXGUFKIR-UHFFFAOYSA-N 410.783 5.411 5 1 HKBF CC(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 13397730 GKMHSJYLRXLVRG-XGRITSKNSA-N 418.665 8.514 5 1 HKBF endogenous,in-man COc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 53312750 CJBMQKMFKFVLBT-UHFFFAOYSA-N 423.425 5.973 5 1 HKBF CN(C)CCCNc1nc2ccc(Br)cc2c2c1c1ccccc1n2C 169309493 HZKNJEBWQIXAQN-UHFFFAOYSA-N 411.347 5.006 5 1 HKBF Cc1ccc2c3c(cc(-c4cc(Cl)cc([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 586994036 VAYXMHVTPXZQRM-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF CC(=O)c1ccc(-c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1 586880605 OZLWVYPSCGSSPW-UHFFFAOYSA-N 412.492 7.406 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc([N+](=O)[O-])cc3Cl)nc3ccc(O)c1c23 586986347 REQJALIJLRKROO-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587074274 VVKODUDPXSPXGG-SDXDJHTJSA-N 403.869 6.298 5 1 HKBF O=C1C[C@@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)Oc2c1ccc1c2CCCC1 587535643 NECHSFRPTFLQJN-FQEVSTJZSA-N 406.463 5.304 5 1 HKBF CC[C@H]1C[N@@+]2([O-])CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 1772594422 AGLGJFNSMGBVNR-DLVYFNGYSA-N 418.537 5.077 5 1 HKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ccc(C)cc4)cc-3oc2c1 71340840 QEUAYXZPFJSYLQ-COOPMVRXSA-N 407.517 6.473 5 1 HKBF COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(OC)c3c(=O)c2c1CC=C(C)C 169345088 FZNWIVKHZIENFA-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3cccnc3[nH]2)ccc1Sc1nc2ccccc2s1 587038023 PEBTYGPWBSFXKD-UHFFFAOYSA-N 405.464 5.294 5 1 HKBF Cc1ccnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 587039578 YYMLRGAKZXVZDK-UHFFFAOYSA-N 419.491 5.602 5 1 HKBF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587194097 LFZMKQCLZCLQAH-FQEVSTJZSA-N 418.541 5.387 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)O2 587379445 UXIULBUFOICJLF-OAQYLSRUSA-N 424.840 5.638 5 1 HKBF CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc(Cl)cc12 1911577298 WFARJJPYRGYARE-UHFFFAOYSA-N 416.864 5.203 5 1 HKBF CCN(CC)CCNc1ccc(CN(CC)CC)c2sc3ccccc3c(=O)c12 100891393 QUCCVAUGIMMMNI-UHFFFAOYSA-N 411.615 5.010 5 1 HKBF COc1ccc(Nc2cc(Oc3c(C)cccc3C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 53312748 ZGKDUQVOZCSIIC-UHFFFAOYSA-N 409.398 5.664 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587753599 VWNZPSSIWSVPCP-FKIZINRSSA-N 421.310 5.224 5 1 HKBF CC(C)[C@H](N)COc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857576958 FDTFSYUMWCHWBV-XMMPIXPASA-N 400.478 5.526 5 1 HKBF O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1coc2cc([N+](=O)[O-])ccc12 587280090 ISCYMZDMSGPOJS-UHFFFAOYSA-N 412.741 5.394 5 1 HKBF Cc1ccc(-n2cc(C(=O)c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])s3)n2)cc1 40938901 XTXJSLAXWKELNY-UHFFFAOYSA-N 423.881 5.702 5 1 HKBF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2c(ccc3ccccc32)c1 95573981 HYIRZIIIRWRYFS-JOCHJYFZSA-N 412.441 5.135 5 1 HKBF COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cc(C)ccc4C)c3oc2c1OC 96933387 KYCUXYZCVCAEQM-UHFFFAOYSA-N 420.461 5.264 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(C(F)(F)F)cccc12 169337747 BGRYFOTVYRZUPY-QRWLVFNGSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028075 NNLBNMCHXLETLY-UHFFFAOYSA-N 401.245 5.024 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587263893 OUCJGHWTJGKIOC-SECBINFHSA-N 424.240 5.129 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2)cc1 587271284 BLLXQVJCOXASFW-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1c4ccccc4c(Cl)c4ccccc14)[C@@H](C2)C3=O 587421847 NKHMGBFSRIXLPD-UQBPGWFLSA-N 400.861 6.144 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC)cc1[N+](=O)[O-] 587860369 SEVNCVBYVUEYFN-UHFFFAOYSA-N 408.241 5.162 5 1 HKBF O=C1c2ccccc2C(=O)N1CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1 58569168 AIOAJOXQFTZSDT-UHFFFAOYSA-N 424.497 5.391 5 1 HKBF Cc1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1[N+](=O)[O-] 587069043 CWOOVFAEJOTNNZ-JXMROGBWSA-N 419.868 6.182 5 1 HKBF Fc1cc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1-c1ccccc1 587145290 KKKBAXGOUVKVQD-UHFFFAOYSA-N 404.448 6.056 5 1 HKBF CCCCOc1ccc(OCCCC)n1-c1cccc(Br)c1[N+](=O)[O-] 587937264 OUGCGVRYFVZHOE-UHFFFAOYSA-N 411.296 5.506 5 1 HKBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 1772612285 YROQSGSUYUTYQE-AVRDEDQJSA-N 404.857 5.256 5 1 HKBF CC(C)(Nc1ncc([N+](=O)[O-])c(Nc2ccc3ncsc3c2)n1)c1ccccc1 64521451 XCGUXVDDFUBJHG-UHFFFAOYSA-N 406.471 5.085 5 1 HKBF C[C@@]1(c2cccc([N+](=O)[O-])c2)CC(c2cccc([N+](=O)[O-])c2)=Nc2c(O)cccc2N1 66251916 MRCZURZANHMQGF-QFIPXVFZSA-N 418.409 5.060 5 1 HKBF CCc1ccc(-c2c(OC)cc(OC)c3c(=O)c4ccc(OC)c(OC)c4oc23)cc1 96932326 NPZWXWRTCHUKPO-UHFFFAOYSA-N 420.461 5.210 5 1 HKBF O=C(c1ccc(Br)cc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280176 MNDZYJOKOHTCBT-UHFFFAOYSA-N 414.133 5.353 5 1 HKBF O=C1C[C@@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)Oc2c1ccc1c2CCCC1 587511877 KBIMLYGWCJLBCJ-QHCPKHFHSA-N 400.434 5.242 5 1 HKBF O=c1c(-c2cccc(F)c2)coc2cc3occ(-c4cccc(F)c4)c(=O)c3c(O)c12 653905271 WLFOTIBZUKMWRQ-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF O=C(CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(c1)NCCCC2 13737868 CVBWSHNUOYZVMQ-UHFFFAOYSA-N 421.541 5.218 5 1 HKBF CC[C@@]1(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)CC(=O)c2ccccc2C1 587961511 RQGTYIYETGMJCC-NDEPHWFRSA-N 404.513 6.637 5 1 HKBF O=C(NCCCc1ccccc1)c1cc(-c2ccc3c(ccc4ccccc43)c2)on1 72170840 YGXVCPGWRBPAHP-UHFFFAOYSA-N 406.485 6.011 5 1 HKBF CCn1cc(Br)c(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587000471 OAGJKAVECUUNMB-UHFFFAOYSA-N 405.299 5.439 5 1 HKBF CCOP(=O)(OCC)C(=Cc1ccccc1[N+](=O)[O-])P(=O)(OCC)OCC 1772625551 WPFAZGUIGHGTAQ-UHFFFAOYSA-N 421.323 5.425 5 1 HKBF CC(C)=CCC/C(C)=C/COC(=O)c1cc(C(C)C)nn1-c1ccc([N+](=O)[O-])cc1 103213965 CHSUSWDWCXKNKB-QGOAFFKASA-N 411.502 5.753 5 1 HKBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3ccccc3cc2[nH]1 587055344 OVKCTXSGOINBPU-HXUWFJFHSA-N 422.872 5.405 5 1 HKBF Cc1onc(-c2c(F)cccc2Cl)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279853 DRBYFCBBAPRVFG-UHFFFAOYSA-N 400.749 5.328 5 1 HKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586981451 CUZRPMVEATUOAJ-CYBMUJFWSA-N 403.280 5.001 5 1 HKBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587070302 RSFVQQJBPAANRZ-VIFPVBQESA-N 422.666 5.264 5 1 HKBF O=[N+]([O-])c1ccccc1NC1=C[C@@]2(CCC1)NCCc1cccc(-c3ccccc3)c12 962667751 MUWNWWYFIBCMSK-AREMUKBSSA-N 411.505 5.783 5 1 HKBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586993801 PPWWYJVQYRHNBE-UHFFFAOYSA-N 414.848 6.292 5 1 HKBF COc1ccc(C2(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC3(CCC3)C2)cc1 587936222 UXTPYFHAGIICTK-UHFFFAOYSA-N 420.516 5.918 5 1 HKBF O=c1c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2[nH]c2cc(F)cc(Cl)c12 1911585089 HZPMBKKROWFJLF-UHFFFAOYSA-N 423.749 6.165 5 1 HKBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(/C)CCC=C(C)C 33985352 JLTSTSRANGPLOQ-ZSOIEALJSA-N 410.466 5.307 5 1 HKBF COc1ccccc1NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1Cl 87328091 IOSVWNABXINZSD-UHFFFAOYSA-N 414.870 5.660 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SCc3ccco3)c([N+](=O)[O-])c1)O2 587409719 NWGDMBOIHNBADX-LJQANCHMSA-N 410.451 5.077 5 1 HKBF Cc1ccc(COc2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4[nH]3)cc2)cc1 653905743 KUCIPFNNJAXDEU-UHFFFAOYSA-N 401.422 5.216 5 1 HKBF Cc1ccccc1/N=c1/oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1 101957910 IHIOYZHARVZLKH-KDJFERLWSA-N 401.469 6.670 5 1 HKBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113201 TWUSXVNSZMHUJC-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nc3ccccc3nc12 587585723 HGIQRVIDJLPKEX-ATIYNZHBSA-N 420.424 5.192 5 1 HKBF Cc1ccc(O)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)c2ccc(Cl)cc2)c1 587644905 QPXXYIVZLFEIMH-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF O=c1c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2[nH]c2cc(Cl)cc(F)c12 1911585769 QFOJRFWWBUBDLW-UHFFFAOYSA-N 423.749 6.165 5 1 HKBF C[C@H](OC(=O)c1cccc(Cl)c1)c1cccc2nc3c(C(=O)O)cccc3nc12 29467161 CUPWYOIROQAUMN-LBPRGKRZSA-N 406.825 5.053 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2[nH]c3ccccc3c12 40939630 LXYHGBBKOVZZDY-INIZCTEOSA-N 408.977 6.445 5 1 HKBF O=C(O)c1ccc2cc([C@H](O)C[C@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169338182 OZMMWMAPZPSCED-IIBYNOLFSA-N 417.427 5.276 5 1 HKBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587076689 ZDVJHAJJAAFULJ-UHFFFAOYSA-N 410.868 5.474 5 1 HKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)(C)C 587205853 UQLCBDIBHXBGJM-HXUWFJFHSA-N 417.553 6.351 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587470147 IRGZLDBYEBROEE-HSZRJFAPSA-N 403.434 5.626 5 1 HKBF O=[N+]([O-])c1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)c([N+](=O)[O-])c1 1857541604 SNWNISNRGKHMDC-HNQUOIGGSA-N 406.181 5.234 5 1 HKBF COc1cc2[nH]c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3c(=O)c2cc1F 1911575081 FMQXEOUSZGIHCJ-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)Nc1cccc([N+](=O)[O-])c1 43101829 CJYFCQCHYVIZPD-LGPLSSKUSA-N 420.553 6.367 5 1 HKBF Cc1c(Cl)ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587053085 AWKIMUYXEBPKMA-INIZCTEOSA-N 421.284 5.213 5 1 HKBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587065904 DKXSTYAQENFNLA-UHFFFAOYSA-N 409.880 6.079 5 1 HKBF Cc1ccc(F)cc1C(O)(C[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1cc(F)ccc1C 103234811 LBKRXXLTIFHWRI-FJPGZJACSA-N 400.533 5.225 5 1 HKBF Cc1c(Br)ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587271208 APKNETCEPNMVPM-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CCC1)CC2=O 587470790 LUHJKKMMHLHPHG-XMMPIXPASA-N 420.465 5.395 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587948368 AWOVMABBVANCAJ-UHFFFAOYSA-N 424.254 5.617 5 1 HKBF O=C(O)c1cc(-c2ccc(Oc3ccccc3)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1 1857641630 SFGPPIKMMSYUSN-UHFFFAOYSA-N 412.401 5.814 5 1 HKBF Clc1nc2ccc3ccccc3c2cc1-c1onc2c1CCc1c-2[nH]c2ccccc12 103300039 VCGPURMJLQRMNO-UHFFFAOYSA-N 421.887 6.943 5 1 HKBF CSCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299859484 FTUDRRJXXBKYOL-DHZHZOJOSA-N 405.954 6.382 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023308 IJQQOVDFQKCBNU-UHFFFAOYSA-N 401.245 5.024 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Br)ccc4[nH]3)cc2)cc1 587272183 PDLNSEHERLMTKS-UHFFFAOYSA-N 410.227 5.693 5 1 HKBF CC(=O)Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12 1857569114 SGMNHNUBNHPLLW-VOTSOKGWSA-N 403.221 5.546 5 1 HKBF CC(C)N(CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21)C(C)C 1625575 QQCMSGONVMDVFA-UHFFFAOYSA-N 412.533 6.173 5 1 HKBF O=C(O)c1cc(-c2nc(-c3cccc(F)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204999682 IRNHWJZMWSALDJ-UHFFFAOYSA-N 420.421 5.890 5 1 HKBF CCc1cc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl 587052908 SMTJCJZAFNEZSA-UHFFFAOYSA-N 410.655 5.028 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587269985 URFXSFCLYUGIFI-UHFFFAOYSA-N 421.682 5.154 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)on2)cc1 40403264 COSCANZCSIFIHB-UHFFFAOYSA-N 416.477 6.090 5 1 HKBF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 586987890 ULMIAGJTBHQXTL-UHFFFAOYSA-N 412.401 5.126 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2)cc1 587274012 XVLGTZBVQUXTRT-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@@H](C2)C3=O 587452981 QJZGLMJLOAFYNZ-MBSDFSHPSA-N 419.458 5.243 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3c3ncccc23)N1 587778528 LURFLJPQBMNYTD-AMXDTQDGSA-N 422.301 5.308 5 1 HKBF O=[N+]([O-])c1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 587264994 QZSDAIFVJHRZFB-UHFFFAOYSA-N 406.423 5.121 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(/C=C/c3ccccc3)cc2)c([N+](=O)[O-])c1 103948479 SFMOFSBWGITHAJ-VOTSOKGWSA-N 406.354 5.325 5 1 HKBF COc1ccc(-c2oc3ccccc3c2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 15935062 WCRRNHABMIRJLD-UHFFFAOYSA-N 403.390 5.374 5 3 HKBF COc1cc2cc3c4cc(-c5ccc(C)cc5)c(OC)cc4cc[n+]3cc2cc1OC 68247007 HOQQQKIMXMVWBT-UHFFFAOYSA-N 410.493 5.733 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163483 IKTKUSWOMKSMPS-DJJJIMSYSA-N 407.474 5.314 5 1 HKBF Cc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1C(F)(F)F 587095156 QWJUCVCQMPDEEO-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644125 NILGAJMMNHPFMV-UHFFFAOYSA-N 423.650 5.336 5 1 HKBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587039712 IJPRXGVMXAXNBT-SFHVURJKSA-N 405.523 5.852 5 1 HKBF O=[N+]([O-])c1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1[N+](=O)[O-] 587164434 QNKDQXZFMNBNTI-MDWZMJQESA-N 410.386 5.169 5 1 HKBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12 587621843 LIXOBJQLBYRKKX-UHFFFAOYSA-N 405.639 5.344 5 1 HKBF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13661886 JCFITQHCTOJUNS-POTDNYQPSA-N 424.500 5.654 5 3 HKBF FC(F)(F)c1ccc2ncc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2c1 587112621 PDZSCIBWCHJUKM-UHFFFAOYSA-N 413.402 7.103 5 1 HKBF O=C(c1nc2c3ccccc3c3ccccc3c2[nH]1)c1c(Cl)ccc(F)c1Cl 587132611 GKNHTIJGBHEPMR-UHFFFAOYSA-N 409.247 6.546 5 1 HKBF O=C(c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587646348 PLDIOWUAWCTEAG-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF COc1ccc2cc([C@@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc2c1 587935874 VUHURZYBDPAUQL-OAHLLOKOSA-N 404.473 5.973 5 1 HKBF CC(C)c1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1 1857595150 ZPJFLVVBOBFTRU-UHFFFAOYSA-N 418.409 5.363 5 1 HKBF CCCCCC(CCCCC)OC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C 26278922 XUSRHDTWMWPAKH-OAQYLSRUSA-N 400.624 5.113 5 1 HKBF O=c1[nH]c2ccc(CCCCN3CC=C(c4ccccc4)CC3)cc2c2ccccc12 28525680 UBLBTRGDACYZLM-UHFFFAOYSA-N 408.545 5.793 5 1 HKBF CC(C)CN(C)c1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163514 FBCUWTQZAZLLRM-UHFFFAOYSA-N 419.510 5.421 5 1 HKBF Cc1cc(Cl)cc2c(C(=O)Nc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]c12 587626278 FNRMUYAWGRILBF-UHFFFAOYSA-N 405.841 5.957 5 1 HKBF Cn1cc(C[C@H](NCc2c3ccccc3cc3ccccc23)C(C)(C)O)c2ccccc21 71330060 SIXPODWFVLCJHB-NDEPHWFRSA-N 422.572 5.957 5 1 HKBF COc1cccc(-c2cc(-c3ccc(C)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587363654 VUXBYNVQEAVFHS-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O 587468768 DJPAYNWLAVNQKV-DEOSSOPVSA-N 424.497 5.124 5 1 HKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[N+](C)(C)CCCCCS(=O)(=O)O 26576147 NBWREGYYOQNXOQ-KTWAZNHYSA-O 400.649 5.540 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)n(-c3ccnc4cc(Cl)ccc34)n2)cc1 28568097 VQTWGIFTBXTFAY-UHFFFAOYSA-N 418.762 5.668 5 1 HKBF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)C 59745710 HGWBSMBLLOMJGT-DADBORHESA-N 400.650 9.485 5 1 HKBF in-vitro COc1cccc(-c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)nc3c2oc2ccccc23)c1 587361964 DEVMOPDCNJRPGT-UHFFFAOYSA-N 424.412 5.796 5 1 HKBF O=C(Nc1ccc(OCc2cccc(F)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653916383 KRCIIDOJYMHNNU-UHFFFAOYSA-N 405.385 5.047 5 1 HKBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1Cc1ccccc1 5934317 DOURQCHMQTYFRV-UHFFFAOYSA-N 415.452 5.361 5 1 HKBF Cc1cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1Br 587271407 CMLQOMVJABWNCR-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF O=C(c1sc2cccc(OC(F)F)c2c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280408 WGBKPTUZIHDPFH-UHFFFAOYSA-N 423.780 6.042 5 1 HKBF C[C@]1(c2cccc(Br)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500687 UPLIEHXHJFJSKI-HXUWFJFHSA-N 416.271 5.117 5 1 HKBF O=C(c1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645468 WDWYXBQFYZOAOE-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF c1ccc(Cn2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)cc1 1772598868 KGPOTSYSHGYZIM-UHFFFAOYSA-N 405.461 5.386 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587071613 LKHNGRYMQNYJLK-SRRLQIGMSA-N 402.281 6.144 5 1 HKBF Cc1ccc2c3c(c4c(nc13)/C(=C\c1cccc([N+](=O)[O-])c1)CC4)-c1ccccc1C2=O 587098119 NPUAYYFLKGQHEI-LGMDPLHJSA-N 418.452 6.150 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Oc2c1ccc1c2CCCC1 587508579 RZUKYJYTTCOBGC-JOCHJYFZSA-N 423.852 6.094 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587857497 QTGBBKUWMHTOER-UHFFFAOYSA-N 412.660 5.806 5 1 HKBF O=c1[nH]ccc2c3[nH]c(-c4ccccc4Br)nc3c3ccc(F)cc3c12 29135906 PEXZDQQEZSYNSB-UHFFFAOYSA-N 408.230 5.126 5 1 HKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N\c4ccc(OC)cc4)cc-3oc2c1 72126857 YINRFVOFJFCKDI-COOPMVRXSA-N 423.516 6.173 5 1 HKBF CCc1cnc(-c2cnc(NCc3ccc(C)o3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163449 NCGCGVLPVBGSIQ-UHFFFAOYSA-N 421.482 5.251 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)ccc12 169338982 HSHXKUQLSQCFHT-QKKBWIMNSA-N 408.756 6.519 5 1 HKBF CC(C)[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OC(C)(C)C 587197826 PVRMPBLUYYIHRD-JOCHJYFZSA-N 403.526 6.433 5 1 HKBF O=C1c2ccc(O)cc2O[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)[C@@H]1c1ccc(F)cc1 587341969 KYQYIRCAASZXEH-ISKFKSNPSA-N 419.408 5.104 5 1 HKBF CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627770 JQRCQCFMVQXPFI-UHFFFAOYSA-N 402.294 6.343 5 1 HKBF CNC(=O)OCc1ccc(Sc2c3ccccc3nc3c(OC)cccc23)cc1 26975478 AZQOOQSHFDYZSH-UHFFFAOYSA-N 404.491 5.404 5 1 HKBF O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 253928460 JCFITQHCTOJUNS-QEGGNFSNSA-N 424.500 5.654 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587047931 BXIYGXDSQILWFE-RYUDHWBXSA-N 405.288 6.237 5 1 HKBF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1 587265133 NQVFTUYUELYNRP-UHFFFAOYSA-N 409.401 5.629 5 1 HKBF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587643630 HEDRLMSRYRFDSB-UHFFFAOYSA-N 400.649 5.187 5 1 HKBF CCCCNC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 1772625239 DNNDUWXLBFDFIS-UHFFFAOYSA-N 414.462 5.446 5 1 HKBF Nc1c2c(nc3c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc4cccnc4c1O3)CCCC2 1772625405 NCIGNKPCYCBEJN-FQEVSTJZSA-N 424.460 5.285 5 1 HKBF Cc1cc(Cl)cc2c(-c3nc4ccccc4[nH]3)c(-c3ccc([N+](=O)[O-])cc3)[nH]c12 587626132 DDPMHSVMBOOIJX-UHFFFAOYSA-N 402.841 6.248 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587263896 OUCJGHWTJGKIOC-VIFPVBQESA-N 424.240 5.129 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750423 IBWQOFUKXPCWBM-JEOXALJRSA-N 415.262 5.273 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103915563 JFVMCFNDZFLTQI-AVRWGWEMSA-N 411.461 6.224 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 587047301 FPZAJWORPPOYSR-DUXPYHPUSA-N 402.159 5.967 5 1 HKBF C[C@@H](Cc1cccc(C(F)(F)F)c1)NCCc1c2ccccc2nc2ccccc12 45367281 RDWJWBQMJVBZRY-KRWDZBQOSA-N 408.467 6.170 5 1 HKBF C[N@@+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 254216454 JDISIZOQMXKSRK-WZONZLPQSA-N 400.365 5.676 5 1 HKBF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587118258 LQXJVULXAQQNPZ-UHFFFAOYSA-N 406.411 6.010 5 1 HKBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2ccc([C@@H](C)CC)cc12 587642112 JJOLLEMWIAQIHL-ZDUSSCGKSA-N 424.453 5.016 5 1 HKBF C[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587097600 LPXPIWCUIGFKJE-QMMMGPOBSA-N 414.181 5.404 5 1 HKBF Cc1ccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c([N+](=O)[O-])c1 587627700 IWKNGTHZHRLCHP-UHFFFAOYSA-N 402.294 6.398 5 1 HKBF O=c1c2ccccc2n(Cc2ccccc2)c2cc(OCc3ccccc3)cc(O)c12 64539836 AJESRQHEPGDLMN-UHFFFAOYSA-N 407.469 5.488 5 1 HKBF Cc1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 587038942 VNZYCMBVUIDFEO-UHFFFAOYSA-N 418.503 6.207 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587084468 AYVKHIQTOOXYJN-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF Cc1c(CSc2ccccc2[N+](=O)[O-])nc2cccc3c2c1-c1ccccc1C3=O 587209991 ZTQROSUJXBRPGP-UHFFFAOYSA-N 412.470 5.955 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCCCCN1CCCCC1 40938703 QZYXLRCKWOIWEE-UHFFFAOYSA-N 422.529 5.180 5 1 HKBF CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174934 SIUSNEAQQPVDGN-UHFFFAOYSA-N 417.494 5.298 5 1 HKBF Clc1ccc(-c2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cs2)cc1 587015449 DKGOXKWGIUTVLU-UHFFFAOYSA-N 411.917 7.313 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1c([N+](=O)[O-])ccc(Br)c1C)CC2=O 587455388 BFNFXKWYDGCHLL-QGZVFWFLSA-N 420.259 5.030 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587751111 KTCSFDLRNKBVIN-ODXCJYRJSA-N 421.310 5.224 5 1 HKBF Cc1ccc2oc(-c3cccc(NC(=S)Nc4ccc([N+](=O)[O-])cc4)c3)nc2c1 1857773198 KHAHWPLDYROJPN-UHFFFAOYSA-N 404.451 5.520 5 1 HKBF CC(C=CC=C(C)C1=C[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)O1)=CC=CC=C(C)C=CCO 2356663341 BNPIIBPBTJTVJW-DFZDUAMZSA-N 410.598 5.956 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587051979 WQQMNTHGOOTMQA-ZIAGYGMSSA-N 405.288 6.237 5 1 HKBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587116560 HQXSIUOJZMSFFA-UHFFFAOYSA-N 400.791 5.942 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587749218 CTZWCGPJAAPOSM-BGJHHESQSA-N 417.278 5.341 5 1 HKBF O=C(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772647631 YEEYUODTVWSOFA-UHFFFAOYSA-N 401.897 5.004 5 1 HKBF CCN(CC)CCn1c2ccc(Cl)cc2c2sc3cc(OC)ccc3c(=O)c21 43077459 GIASHUMBMMHWIT-UHFFFAOYSA-N 414.958 5.373 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587095044 OAGFDRZAQMWTHH-UHFFFAOYSA-N 420.225 5.084 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Cl 587128376 KVQNCGQYQWFNGD-UHFFFAOYSA-N 406.801 5.853 5 1 HKBF COc1cc2[nH]c3cc(Nc4ccc(OC(F)(F)F)cc4)ccc3c(=O)c2cc1F 1911580948 SVXMGNXMOOAUOW-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C 2356477780 HGWBSMBLLOMJGT-UHFFFAOYSA-N 400.650 9.485 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587069239 DIVZBRDFOQDDSK-PVLSTCQYSA-N 420.271 6.283 5 1 HKBF O=C1C[C@H](c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 587521378 BYVURQUZEJZHJL-AREMUKBSSA-N 402.493 7.169 5 1 HKBF O=c1c2c(OC[C@@H]3CS3)cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c12 45367834 DUXFZXRFGYRKQM-JKSUJKDBSA-N 422.527 5.088 5 1 HKBF O[C@H](C[C@@H]1CC2CCN1CC2)c1cc2ccccc2c2cc(Br)ccc12 169338094 YAMWIWAUYHCSSU-FDDCHVKYSA-N 410.355 5.663 5 1 HKBF CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C 85552718 VDPMHVILMVSAQX-BAHSRKMSSA-O 422.630 6.016 5 1 HKBF endogenous,in-man COc1c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc(C)cc1[N+](=O)[O-] 587096915 DIPIVVBVKOSOFZ-UHFFFAOYSA-N 410.429 5.647 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 587037232 GIDBMJHFGOXDCY-UHFFFAOYSA-N 423.454 5.433 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 587082657 UHXHCAAALYGPRU-UHFFFAOYSA-N 416.824 5.712 5 1 HKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587512963 QJNWFGZIJKYCEM-QHCPKHFHSA-N 419.433 5.449 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1 587860616 ZJBQWLBNBHFTNU-UHFFFAOYSA-N 421.240 5.244 5 1 HKBF COc1ccc(C)cc1Nc1n[n+](C)c(-c2c3ccccc3cc3ccccc23)s1 15936934 OZUKEOSZZFPVIG-UHFFFAOYSA-N 412.538 6.002 5 3 HKBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1ccc(F)cc1 28646026 HQTIOWYRSYFAQS-UHFFFAOYSA-N 415.855 5.702 5 1 HKBF CCc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Br 586977644 NUXKCISNZNUUFM-UHFFFAOYSA-N 403.283 5.651 5 1 HKBF Clc1ccc(-c2cnccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587077127 RGYLQNGBJVHGFZ-UHFFFAOYSA-N 407.864 6.042 5 1 HKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cccc4[nH]3)cc2)nc1C(F)(F)F 587119465 WMEHCJIPLGNBNE-UHFFFAOYSA-N 421.766 5.055 5 1 HKBF O=C(c1ccc(Cl)cc1Cl)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644683 APFXGROXWNXOHJ-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2cnccc2c2c(Cl)cc(Cl)cc12 169337275 ACAVQLHIEUMQJZ-QFIPXVFZSA-N 419.396 6.630 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)CC2=O 587494239 KGGJDFXVHWMHRT-IBGZPJMESA-N 409.463 5.688 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c12 587646334 OMFJHVNVKGPYJH-UHFFFAOYSA-N 404.388 6.374 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 29337704 JBUPFGZJKWHDBB-IBGZPJMESA-N 406.269 5.213 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 34804453 USMUDLPXXBPJQV-GSHUGGBRSA-O 418.388 6.011 5 1 HKBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c12 45391034 OTQAKMXMRGOUFP-DLBZAZTESA-N 422.527 5.088 5 1 HKBF CC(C)COc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 587269504 DUHJAPLWSVRMCF-UHFFFAOYSA-N 418.291 5.054 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)cc1 587271761 HYUDFZVDUPULHY-UHFFFAOYSA-N 415.384 5.255 5 1 HKBF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645110 VWRPCEXLCMWNRD-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc5cc(O)ccc54)oc13)C=CC(C)(C)O2 5158975 ZRHZEZGNBCGSBJ-UHFFFAOYSA-N 418.445 5.797 5 1 HKBF biogenic CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)C(C)(C)CCC1 95591998 PZALNBQPONUQAJ-MIFWMJNYSA-N 415.537 6.985 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12 169338910 XSFKHAIPBUPPDO-XMMPIXPASA-N 418.408 7.235 5 1 HKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)(C)C 587204799 LNYBXSLSHAUCHU-HXUWFJFHSA-N 419.529 5.141 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(O)n(CC[C@@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587946791 XVKBESZYAXXHJG-IBGZPJMESA-N 422.412 5.429 5 1 HKBF Cc1cc(O)c(-c2ccc(C3(CN(C)C)CC3)cc2)c2c1nc(O)c1c(O)cccc12 1857579687 OMSQNEXGVCMWRQ-UHFFFAOYSA-N 414.505 5.073 5 1 HKBF CCCNCc1ccc2nc3c(ccc4cc5cc(CNCCC)ccc5nc43)cc2c1 38939736 OMEMJMANSQHEGI-UHFFFAOYSA-N 422.576 6.089 5 1 HKBF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163716 GHTTTXNSGBKAOZ-UHFFFAOYSA-N 409.515 5.028 5 1 HKBF CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1OC(F)F 587131392 ZONOSFYSWWFXRK-XQRVVYSFSA-N 409.776 5.295 5 1 HKBF O=C(c1ccccc1)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269397 BWVMAYUTFPIXKV-UHFFFAOYSA-N 420.428 5.431 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccc4ccccc4c23)N1 587818475 DSWOREFEGYBRND-SHACYNPGSA-N 420.325 6.518 5 1 HKBF O=[N+]([O-])c1cc(Br)ccc1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962663926 FBPCAWCNOWBDEN-OAQYLSRUSA-N 409.283 5.259 5 1 HKBF O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 84654160 CDZMZPXWDKACEV-SSZFMOIBSA-N 410.433 5.099 5 1 HKBF CC(C)=CCC/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C\C=C(/C)CO 238782927 CCBSGQLGLZMKTB-XTNCPEQJSA-N 418.665 8.681 5 1 HKBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587164257 ZSGPJKVWRDPVFP-UHFFFAOYSA-N 416.455 6.906 5 1 HKBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587267633 CACACCPTQMOTER-UHFFFAOYSA-N 418.482 5.116 5 1 HKBF COc1cccc(-c2cc(-c3ccc(O)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587363583 UPYYIAPLOBGNNC-UHFFFAOYSA-N 412.401 5.937 5 1 HKBF C[C@@H](CN(C)C)c1ccc(-c2c(O)cc(Cl)c3nc(O)c4c(O)cccc4c23)cc1 1857600509 HGRYGMNBFXHNQD-ZDUSSCGKSA-N 422.912 5.490 5 1 HKBF CCOC(=O)CCCc1cc(=O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2[nH]1 5541748 PVNWURSWZWKKQF-UHFFFAOYSA-N 410.901 5.319 5 1 HKBF O=[N+]([O-])c1cccc(CNC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 45192685 WEUPVDZUJKJZAC-UHFFFAOYSA-N 401.510 5.016 5 1 HKBF Cc1ccccc1OCc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 103197431 LMTHSOABINJVOV-UHFFFAOYSA-N 402.475 6.273 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338539 TWYFDFGEPAWOOF-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)c1 587270638 XIABSXLWWDDQMO-UHFFFAOYSA-N 424.485 6.351 5 1 HKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)NC[C@@H]1CC[N+]2(C)CCCC[C@H]12 38627773 UMAWGIQJLCNKLK-JNDJXAHGSA-O 401.659 5.931 5 1 HKBF CC(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 147067498 GKMHSJYLRXLVRG-QZMSTDJESA-N 418.665 8.514 5 1 HKBF Cc1cncc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587039419 XPVZNUUPYROYLY-UHFFFAOYSA-N 419.491 5.602 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587060899 VPKQUDPNRQEFJR-UHFFFAOYSA-N 401.813 5.402 5 1 HKBF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587061751 JOMLOUIREMNMTD-GFCCVEGCSA-N 410.655 5.417 5 1 HKBF O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653871730 UPDJIZCJCNTTEO-UHFFFAOYSA-N 421.840 5.561 5 1 HKBF CC(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746734 KVKAEIOSAFHUIY-WYRIXSBYSA-N 407.283 5.243 5 1 HKBF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)c21 587032042 YDLXPBROUIUGPO-NSHDSACASA-N 412.902 6.084 5 1 HKBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587070754 WLAUHAYRGOLWBS-ZDUSSCGKSA-N 400.869 5.689 5 1 HKBF FC(F)(F)Sc1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587125815 SBKRLNMWJBBOTQ-SDNWHVSQSA-N 420.459 7.652 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)cc1 587273826 VKNRRDPPFPTLDO-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF Cc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc43)n2)cc1 653725355 HUIPYFYCYBERGL-UHFFFAOYSA-N 401.853 5.215 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174619 AMQKHRFSFTVOEU-GASCZTMLSA-N 423.542 5.220 5 1 HKBF N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Br)cc1 586997083 MODXDBXIMDKJBT-HXUWFJFHSA-N 416.322 5.874 5 1 HKBF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc([N+](=O)[O-])cc2)C1)-c1ccccc1C4=O 587105347 ZAXSPLUYCTXZTH-HXUWFJFHSA-N 420.424 5.002 5 1 HKBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587114564 UIYNDZZEAVLNEB-ZDUSSCGKSA-N 406.411 6.024 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2C)c(OC)c1 587930854 WOWAQYFVGNHSOO-UHFFFAOYSA-N 423.856 5.784 5 1 HKBF COc1cc2cc(C(=O)CC3=CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 96900989 RWPNUXJCHLIEDT-UHFFFAOYSA-N 422.570 5.468 5 1 HKBF Cc1c(Cc2ccccc2)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 169342960 ZRPJARUEWXGIRI-UHFFFAOYSA-N 417.417 5.531 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153394 QMGUYKPURSASSV-UHFFFAOYSA-N 412.218 5.707 5 1 HKBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1OCc1ccc(F)cc1 587213239 PPLWATDJXXATGU-UHFFFAOYSA-N 400.409 5.627 5 1 HKBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587510555 BBRVFQSVCJSBDT-QHCPKHFHSA-N 406.482 5.170 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 587531076 JHCZYYGXXGDZNL-HXUWFJFHSA-N 405.475 5.909 5 1 HKBF CC[N+](CC)(CC)CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1 1857537604 JJGCCLFTIIFXFM-VAWYXSNFSA-N 412.594 5.910 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc(C(C)(C)C)nc2c1cc(C)c1ccccc12 169335272 RWCATFYOQHFDOQ-VWLOTQADSA-N 420.641 6.930 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)CC2=O 587473606 YJGIOSKTXRCTJD-JOCHJYFZSA-N 407.422 5.528 5 1 HKBF O=C1C[C@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507608 RLPCLURHUVGBOX-VWLOTQADSA-N 417.436 5.522 5 1 HKBF CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 587643652 IEWBRGCJEPOBKK-UHFFFAOYSA-N 423.650 5.336 5 1 HKBF C(=C\c1ccccc1Oc1ccccc1)\c1nc2cc3nc4ccccc4nc3cc2[nH]1 587950208 QIJMEEKWKFJUGN-PFONDFGASA-N 414.468 6.622 5 1 HKBF c1ccc(CCn2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)cc1 1772648270 AQKBTBIGMSDHKO-UHFFFAOYSA-N 419.488 5.581 5 1 HKBF O=C(O)CCCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 13729737 NSLGGKMLDOLNTH-UHFFFAOYSA-N 406.438 5.348 5 1 HKBF C[C@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1 40592522 HGTMTNHJEUDSIB-GOSISDBHSA-N 420.558 5.863 5 1 HKBF O=C1C[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Oc2c1ccc1c2CCCC1 587502780 FDOMFYLVIHFBKL-QFIPXVFZSA-N 423.852 6.094 5 1 HKBF O=c1c2cc(OCc3ccc(OC(F)(F)F)cc3)ccc2[nH]c2cc(F)cc(F)c12 1911584911 ACKYWIARHXNURE-UHFFFAOYSA-N 421.321 5.437 5 1 HKBF COc1ccc2[nH]cc(C(c3ccc([N+](=O)[O-])o3)c3c[nH]c4ccc(OC)cc34)c2c1 96910249 WCUAWDLLRJDYIV-UHFFFAOYSA-N 417.421 5.348 5 1 HKBF CCN(CC)c1ccc2nc3c4ccccc4/c(=N/c4ccc(C)cc4)cc-3oc2c1 102892535 QEUAYXZPFJSYLQ-ZZIIXHQDSA-N 407.517 6.473 5 1 HKBF COc1ccc2c(c1)[C@@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)N(C(C)C)CC2 962090527 LNVJVNXLPDJEQS-XMMPIXPASA-N 403.482 5.021 5 1 HKBF Cc1cc2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1[N+](=O)[O-] 586981872 FYHMMQWANQVUHC-HNNXBMFYSA-N 416.319 5.914 5 1 HKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587033797 BCWDPNHQWRTPMN-CQSZACIVSA-N 408.483 5.265 5 1 HKBF Cc1c(Br)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1C 587047536 KCWQBJKVHWJBEJ-XQRVVYSFSA-N 406.667 5.674 5 1 HKBF C(=C/c1ccccc1Oc1ccccc1)\c1nc2cc3nc4ccccc4nc3cc2[nH]1 587950191 QIJMEEKWKFJUGN-CCEZHUSRSA-N 414.468 6.622 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc3c(=Nc4ccc(F)c(Cl)c4)nc[nH]c3s2)cc1 1857656884 YODWTUONLUKCNJ-UHFFFAOYSA-N 400.822 5.225 5 1 HKBF Fc1ccc(-c2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587145810 RRZOEFLIWGFFKC-UHFFFAOYSA-N 408.411 6.272 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)CC2=O 587468741 CZAXFLGKMALJOP-QHCPKHFHSA-N 419.433 5.752 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3cccc(C(F)(F)F)c3)c2c1 653707145 FQLKXHKTBWBFJN-UHFFFAOYSA-N 416.830 6.103 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 34804450 KYWNWSUQILVVPX-UHFFFAOYSA-O 420.404 6.545 5 1 HKBF O=[N+]([O-])c1cccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587112718 YEESMLHFIAHDNP-UHFFFAOYSA-N 403.282 5.294 5 1 HKBF O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645548 YQZYDLWGSOPTKZ-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF C(=C/c1ccccc1Oc1ccccc1)\c1nc2c3ccccc3c3ccccc3c2[nH]1 587950097 PIIWJWDOBSFZMF-VHEBQXMUSA-N 412.492 7.832 5 1 HKBF COc1cccc2c3c(cnc12)CCN[C@@]31C(=O)c2cccc3cc4ccccc4c1c23 963060777 WWFKRGBDTMVKPS-NDEPHWFRSA-N 416.480 5.135 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587069236 DIVZBRDFOQDDSK-DPECCEGWSA-N 420.271 6.283 5 1 HKBF CC(=O)Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)nc12 1857555323 BAJVAIBANGHOQY-GORDUTHDSA-N 403.221 5.546 5 1 HKBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587157491 AFAJZCDQTAUARW-UHFFFAOYSA-N 418.431 5.945 5 1 HKBF CC(C)(C)c1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1 1857768502 ZEOVTZRTDJDWLY-UHFFFAOYSA-N 410.109 5.311 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1)C1CCOCC1 40776329 JJJGMNWJARPZIC-UHFFFAOYSA-O 408.349 5.001 5 1 HKBF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174164 AELFJFODTRZTEE-UHFFFAOYSA-N 409.515 5.537 5 1 HKBF O=C(O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccncc12 199790818 XOCLJWSWOBSAOV-UHFFFAOYSA-N 417.774 5.897 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)/C(=C\c1cccc([N+](=O)[O-])c1)CC3 587104836 KKTMHRRMSLEMIK-SSZFMOIBSA-N 404.425 5.841 5 1 HKBF COc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)n2)c1 23450575 BZIRHFQPKCPPHM-UHFFFAOYSA-N 415.405 5.178 5 1 HKBF Clc1ccc(-c2nc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cs2)cc1 587016208 RTMMLTUPHLVCOZ-UHFFFAOYSA-N 413.893 6.103 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccc3ccccc3c12 587602960 LVCRBPFTLYRLTD-LEAFIULHSA-N 418.448 6.402 5 1 HKBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587638241 UJZDBMZTPOABNJ-UHFFFAOYSA-N 420.396 5.468 5 1 HKBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587646230 XSWCIYLWTZRKPZ-UHFFFAOYSA-N 421.384 5.678 5 1 HKBF C[C@]1(c2cccc([N+](=O)[O-])c2)CC(c2cccc([N+](=O)[O-])c2)=Nc2c(O)cccc2N1 66251915 MRCZURZANHMQGF-JOCHJYFZSA-N 418.409 5.060 5 1 HKBF O=C(c1cc2ccccc2o1)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 71296212 KLHYHHTUPNHIAW-NRFANRHFSA-N 411.417 5.333 5 1 HKBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 101420151 NYPOBCZLZJTPHI-FGZHOGPDSA-N 405.389 5.637 5 1 HKBF CC(=O)Oc1cc(O)cc2oc3ccc(OC/C=C(\C)CCC=C(C)C)cc3c(=O)c12 139034632 WCLSIYZEDUYDKO-MHWRWJLKSA-N 422.477 5.649 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587051969 WMVOVDBYLZMGFQ-ZWKOTPCHSA-N 403.312 7.447 5 1 HKBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccccc3F)N2C23CC4CC(CC(C4)C2)C3)cc1 6513948 BJDPKCDJTKPBIA-DJKMCGLWSA-N 421.472 5.395 5 1 HKBF Cc1cccc(OCc2ccccc2-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 103198740 WMXAMZQWZMYKRB-UHFFFAOYSA-N 402.475 6.273 5 1 HKBF O=[N+]([O-])c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Cl 587040645 PUQZOUUIGLTXAK-UHFFFAOYSA-N 422.897 5.970 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Cl 587048627 XVLPYLXAUPJQMY-UHFFFAOYSA-N 418.667 6.765 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc5ccc6ccccc6c5c4)nc13)-c1ccccc1C2=O 587099691 SJYRBSLOQLQGRC-UHFFFAOYSA-N 421.499 7.728 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1 43061693 WOAAYNPHQGLLGA-UHFFFAOYSA-N 401.264 5.027 5 1 HKBF CCC(=O)c1c(Nc2ccc(Cl)cc2F)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84602186 WHOILRWQYRYMQJ-UHFFFAOYSA-N 424.215 5.631 5 1 HKBF FC(F)(F)CSc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccn1 587093716 RLLZFDQFLLOQSG-UHFFFAOYSA-N 411.412 5.376 5 1 HKBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165990 KEJBZCMIYMKNOK-UHFFFAOYSA-N 407.452 5.779 5 1 HKBF O=C(Nc1ccccc1)c1ccc(CN=c2c3ccccc3[nH]c3ccccc23)cc1 1857592726 CSDVEZIECNYGEJ-UHFFFAOYSA-N 403.485 5.674 5 1 HKBF COc1cc2c(=O)n(C3CCCCCCC3)c3c4ccnc-4[nH]cc3c2cc1OC 1857765577 NBODSYUTGVDXCY-UHFFFAOYSA-N 405.498 5.285 5 1 HKBF CC=CC=CC=CC=CC=CC=CC=C[C@H](O)CC(=O)CC=C1CC=C(O)[C@@H](OC)C1 2356332225 BBWMWTAADBLZSI-IGKIAQTJSA-N 422.565 5.787 5 1 HKBF CCOC(=O)c1cnc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1O 34496626 BEOXUFMCXRJKOL-UHFFFAOYSA-N 421.456 5.394 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)CC2=O 587494240 KGGJDFXVHWMHRT-LJQANCHMSA-N 409.463 5.688 5 1 HKBF C[C@@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587642994 ALTCOZJUHOQXNZ-JTQLQIEISA-N 403.232 5.084 5 1 HKBF CCc1ccc(OCCC[C@H](O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 45354260 ZRVNMEZPZXJOIW-XMMPIXPASA-N 404.462 5.065 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccnc(Br)c2[nH]1 586968382 CPRWFMWAPNDZJQ-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587014553 NCEZKNVLNIFEFL-UHFFFAOYSA-N 405.266 5.877 5 1 HKBF O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280287 RFSDPYHGCFOSDR-UHFFFAOYSA-N 403.234 5.610 5 1 HKBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613031 MKVJFIXMVROEIU-DENIHFKCSA-N 423.446 5.115 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747607 OZPJMMMYZHLDOP-BUXKBTBVSA-N 407.283 5.074 5 1 HKBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 1772612286 YROQSGSUYUTYQE-GCJKJVERSA-N 404.857 5.256 5 1 HKBF CC(=O)c1ccccc1NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 28713669 CUHQCTGBOSXEKX-UHFFFAOYSA-N 405.497 6.748 5 1 HKBF CCC[N+](C)(C)CCOc1ccc(/C(=C(/CC)c2ccccc2)c2ccccc2)cc1 58494007 CXPGVJCEFYLWNF-ZIADKAODSA-N 414.613 6.921 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1c2ccccc2cc2cc(Cl)c(Cl)cc12 59796704 JLHXKWHRKIVEPK-QHCPKHFHSA-N 418.408 7.235 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12 169338912 XSFKHAIPBUPPDO-DEOSSOPVSA-N 418.408 7.235 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)cc2)cc1 587272570 VMZLUYKSNJJXAT-UHFFFAOYSA-N 401.756 5.862 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)CC2=O 587472786 NADZFFFVVKYKKJ-HSZRJFAPSA-N 403.434 5.626 5 1 HKBF O=C1C[C@@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 587506691 OCWMWHXPJHCGJV-QFIPXVFZSA-N 422.868 5.624 5 1 HKBF Fc1c(F)c(F)c(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F 587135117 SOJCLYHTNUUEMC-AATRIKPKSA-N 412.321 5.525 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 587135694 MPPGEJRFZBQLHW-UHFFFAOYSA-N 415.346 6.271 5 1 HKBF COc1ccccc1Nc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587240697 PAHOODRXQVPBCG-UHFFFAOYSA-N 415.496 7.289 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 963238135 HVDMYNFGWOIGJF-CLOONOSVSA-N 418.541 5.009 5 1 HKBF CCn1cc(C[C@@H](CO)NCc2c3ccccc3cc3ccccc23)c2ccccc21 71329909 IDUDZFSTVPFPEL-QHCPKHFHSA-N 408.545 5.661 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cc(Cl)cc(Cl)c4)cc3)[C@@H]1C2 95562211 ZDEBWQCAOYPJTN-URXFXBBRSA-N 415.428 7.229 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccnc1-c1cccc([N+](=O)[O-])c1)CC2=O 587472368 HRURMTXLGKTNOZ-NRFANRHFSA-N 404.422 5.021 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)CC2=O 587472970 PEQFOGNNOINJGT-QFIPXVFZSA-N 406.438 5.059 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccc4ccccc4c23)N1 587818472 DSWOREFEGYBRND-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@@H]2c1ccc([N+](=O)[O-])cc1 962398930 OFZVGRHZDTUXGD-OFNKIYASSA-N 407.539 5.216 5 1 HKBF CC(C)(C)OC(=O)Nc1ccc2cc3ccc(NC(=O)OC(C)(C)C)cc3nc2c1 43073517 WEKPBLOGZRDGOZ-UHFFFAOYSA-N 409.486 6.082 5 1 HKBF FC(F)(F)Sc1ccc(/C=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587126253 WNPFVUARJBVNFJ-JXMROGBWSA-N 422.435 6.442 5 1 HKBF O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644658 JYDCVSWGINCCMC-SFHVURJKSA-N 406.825 5.613 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587749219 CTZWCGPJAAPOSM-CZCRGUSASA-N 417.278 5.341 5 1 HKBF COc1c(O)ccc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc12)OC(C)(C)C=C4 14768879 PZHQEWQFKUTZTQ-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF biogenic O=[N+]([O-])c1ccc(-n2cc(-c3nnc(-c4ccccc4)o3)c(-c3ccccc3)n2)cc1 64527774 PZYWARXXKBVSBJ-UHFFFAOYSA-N 409.405 5.165 5 1 HKBF C[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587097598 LPXPIWCUIGFKJE-MRVPVSSYSA-N 414.181 5.404 5 1 HKBF COc1ccc2c(c1)[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)N(C(C)C)CC2 962087257 DERKXLQRPFKPPR-RUZDIDTESA-N 402.494 5.626 5 1 HKBF O=C1c2ccccc2-c2cc(Cc3ccc(Cl)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586986764 UJXVNDFGPBAPEU-UHFFFAOYSA-N 416.820 5.304 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c12 587645773 JVVMPSHMGJTLNR-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF O=c1c(-c2ccc(F)cc2)coc2cc3occ(-c4ccc(F)cc4)c(=O)c3c(O)c12 653905143 GIISHQACAFYOTF-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF C[N+](C)(C)c1ccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)cc1 95598653 VQPHJLVKRUCLEO-UHFFFAOYSA-N 414.572 8.038 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc([N+](=O)[O-])c1 587135770 NYVVBBBBJXXOJT-UHFFFAOYSA-N 405.429 6.040 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc([N+](=O)[O-])c1C 587860527 WAFROWJSPWGNSF-UHFFFAOYSA-N 420.252 5.161 5 1 HKBF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 13704415 LCJYQTQQCCWZMO-UHFFFAOYSA-N 418.840 5.353 5 1 HKBF CCC(=O)c1c(Nc2cc(F)cc(F)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84602335 SFYWSALNGUCTQF-UHFFFAOYSA-N 407.760 5.117 5 1 HKBF CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(C)\C=C\C=C(/C)CO 238782944 CCBSGQLGLZMKTB-RVNDLXJQSA-N 418.665 8.681 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1[N+](=O)[O-] 587126232 WJQOBCCKVRDOOE-UTCJRWHESA-N 410.333 5.162 5 1 HKBF Oc1ccc(Nc2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1 587242493 MVNHQPZMOAWAGP-UHFFFAOYSA-N 401.469 6.986 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCC[C@]23c2ccsc2CCN3Cc2cccnc2)cc1 963003961 FCZZEHGIYKXXRL-NFBKMPQASA-N 405.523 5.273 5 1 HKBF Cc1ccc(Sc2ccccc2CN(C)C)c(NCc2ccc([N+](=O)[O-])cc2)c1 40428826 BYTXKMDEYAZNON-UHFFFAOYSA-N 407.539 5.728 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccco4)C3=C(O)C2)c1 104001913 KGMJCVXISDORQZ-IQMFZBJNSA-N 401.422 5.817 5 1 HKBF O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)c1coc2cc([N+](=O)[O-])ccc12 587279992 FYXXCLZRZCGTNS-UHFFFAOYSA-N 402.189 6.139 5 1 HKBF O=[N+]([O-])c1sc([C@@H]2NCCc3cccc(-c4ccccc4)c32)cc1Br 962671037 RLXXOVSHKHICIX-SFHVURJKSA-N 415.312 5.321 5 1 HKBF FC(F)(F)c1nc2ccncc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587115857 CISLPRMHTLLVPQ-UHFFFAOYSA-N 416.366 5.288 5 1 HKBF Cc1cc(Br)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F 587137857 OSCLHPUBGGLNGL-UHFFFAOYSA-N 405.270 6.746 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587483371 QETHYQBNHYDANQ-VWLOTQADSA-N 406.481 6.949 5 1 HKBF CCCc1c(O)ccc2c1O[C@](CC)(CSc1ccccc1[N+](=O)[O-])CC2=O 587489881 FCAFODFNSAMVEM-NRFANRHFSA-N 401.484 5.159 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Cc1ccccc1[N+](=O)[O-])CC3 586987164 KHQRNINDAVBUMG-HNNXBMFYSA-N 422.440 5.333 5 1 HKBF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587235797 ULWXEHOGBQOUHM-RHSMWYFYSA-N 417.513 5.210 5 1 HKBF Cc1ccc(C(C)C)c(OCc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)c1 587280177 MONGXBCZCQLAAT-UHFFFAOYSA-N 419.433 6.176 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82219925 DQEDKFYOYKTBOB-DJJJIMSYSA-N 423.542 5.783 5 1 HKBF Cc1ccc2c3c(cc([C@H](C)Cc4ccccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587099089 XDPLNNUCOUIHGB-MRXNPFEDSA-N 408.457 6.009 5 1 HKBF C[C@@]1(CCc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339362 SXJOKIRNNUVDID-VWNXMTODSA-N 421.424 5.190 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587754279 XUWHFTORWDIQAO-OVWNDWIMSA-N 419.250 5.040 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl 587047339 GTOPODYSBOMOPL-RQOWECAXSA-N 414.046 5.106 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Cl 587047786 NFPFOGLOHRGIHF-YRNVUSSQSA-N 405.841 5.874 5 1 HKBF O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1Cc1cc2c3c(cccc3n1)CC2 587210633 TVRLXVGPBRMULY-UHFFFAOYSA-N 414.436 5.551 5 1 HKBF CC/C(C)=C/Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N[C@H]4O 1857551886 SABAZEMUHHFDSG-UJZCAVEWSA-N 409.489 5.589 5 1 HKBF Cc1c2c(nc3cnc4ccccc4c13)-c1cc(C(C)(C)C)cc(C(C)(C)C)c1OC2 1857766731 LRBFHLSCHQGIKR-UHFFFAOYSA-N 410.561 7.246 5 1 HKBF CC(C)Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66112979 RXAIYKJTYWDREX-UHFFFAOYSA-N 407.861 5.094 5 1 HKBF Cn1c2ccccc2c2c(NCCc3c[nH]c4ccccc34)c3cc(Cl)ccc3nc21 84672467 GRNINQJFXJOVEL-UHFFFAOYSA-N 424.935 6.669 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)cc1 587271359 CEVCZTBJTZUBEQ-UHFFFAOYSA-N 415.327 5.829 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587330919 CIRTVUVENQJPFL-GGAORHGYSA-N 407.397 5.022 5 1 HKBF CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2ccc([C@H](C)CC)cc12 587642109 JJOLLEMWIAQIHL-CYBMUJFWSA-N 424.453 5.016 5 1 HKBF O=C(NCCN1CCCCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857535506 DMHAYFVFEJXWFU-UHFFFAOYSA-N 410.521 5.171 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(C)(C)C)cc2[nH]1 587263382 MHHRNYHTFYGWKR-CYBMUJFWSA-N 411.458 5.120 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc([N+](=O)[O-])cc3)c3ccccc13)O2 587388769 GMFOUZHEXVXNOJ-HSZRJFAPSA-N 413.433 5.136 5 1 HKBF CCCCNc1c2c3ccc(Oc4ccc(C(C)C)cc4)c4cccc(c-2nc1=O)c43 95594902 RRAOKGXYLVNIAW-UHFFFAOYSA-N 410.517 6.856 5 1 HKBF Clc1ccccc1OCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)o1 587064218 FCZWPPIAKHXDMS-UHFFFAOYSA-N 424.887 7.362 5 1 HKBF Cc1cccc(C(=O)c2c(-c3cc(Cl)ccc3O)[nH]c3cccc([N+](=O)[O-])c23)c1 587644798 OHEQBWMYPPQMMR-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF O=c1c2ccc(Cl)cc2[nH]c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc12 1911575286 RBBKABZYKJIYPY-UHFFFAOYSA-N 405.759 6.026 5 1 HKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 586879845 SIXZBWWJCQJPLW-UHFFFAOYSA-N 407.813 5.465 5 1 HKBF O=C1C[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)Oc2c1ccc1c2CCCC1 587513398 RXENXGQYXGLHTP-XMMPIXPASA-N 402.450 5.226 5 1 HKBF O=C1C[C@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512898 POBGZHKWKIBNGO-JOCHJYFZSA-N 400.434 5.242 5 1 HKBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 1772612287 YROQSGSUYUTYQE-PGRDOPGGSA-N 404.857 5.256 5 1 HKBF COc1cc2[nH]c3cc(Nc4ccccc4OC(F)(F)F)ccc3c(=O)c2cc1F 1911577297 WEZVCGZITGMSTN-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF COc1cc(-c2cc3ccccc3c3nc(N)c4ccccc4c23)cc(OC)c1OC 28470911 DEZJQABRFNVVTO-UHFFFAOYSA-N 410.473 5.816 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3cc3ccccc23)N1 587824071 TXHGAZBAYFSVLC-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF COc1cc2[nH]c3ccc(Nc4ccc(OC(F)(F)F)cc4)cc3c(=O)c2cc1F 1911570632 PPGZBEXYGOSPQU-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1O 29216225 WKEFUVVPANPFKI-UHFFFAOYSA-N 418.327 5.364 5 1 HKBF CCOP(=O)(OCC)[C@@H](NCc1ccco1)c1c2ccccc2cc2ccccc12 73196989 FPWZBZBGGXEWGK-XMMPIXPASA-N 423.449 6.641 5 1 HKBF Cn1c([N+](=O)[O-])cnc1SCCCCCCCCCCCCCCCC(=O)O 169347032 ZAWNJYXFXCZYAX-UHFFFAOYSA-N 413.584 5.966 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023696 OTIUUYLMFZEJSR-UHFFFAOYSA-N 401.245 5.024 5 1 HKBF COc1cccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(Cl)c2)c1 587052567 VSQBJLJWVJIWRP-UHFFFAOYSA-N 424.800 5.375 5 1 HKBF O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644929 RCQJTMCFFOMWRB-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c2c1 587645768 JQHSOMWOBIUBNE-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ncc1[N+](=O)[O-] 58468539 GCUIBYDUKQGFPK-UHFFFAOYSA-N 422.268 5.962 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 95589587 TUQJSPDNCATTQH-KROBSHITSA-N 413.521 6.843 5 1 HKBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Br)cc1F 587646214 XEMZUCSNSPIHCC-UHFFFAOYSA-N 405.267 5.866 5 1 HKBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Oc3ccccc3)c1)c1ccncc12 66113459 JPBBTTJULJWZAL-UHFFFAOYSA-N 407.429 6.017 5 1 HKBF Cc1cc(Br)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587272553 VDSGAOMRJVYCRM-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1CCCc1ccc(Cl)c(Cl)c1 587943163 OKTWEFKDOIZTBW-ZDUSSCGKSA-N 415.317 5.563 5 1 HKBF O=[N+]([O-])c1ccc(SN2CCC3(CC2)O[C@@H](c2ccccc2)c2ccccc23)cc1 142242237 KUWJLSNJCFZQAA-QHCPKHFHSA-N 418.518 5.713 5 1 HKBF COc1c([N+](=O)[O-])cc(Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505208 ZAPYWIMWIXCPOZ-OAQYLSRUSA-N 401.846 5.016 5 1 HKBF CC(C)c1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1 587937068 NGPJNMHAIIRWEM-UHFFFAOYSA-N 417.259 5.350 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCCCC[C@]23NCCc2cccc(-c4ccccc4)c23)cc1 962660154 HHIIJAVXFDWUGZ-VPUSJEBWSA-N 412.533 6.351 5 1 HKBF COc1cc2oc3cc(O)c4c(c3c(=O)c2c(O)c1CC=C(C)C)C=CC(C)(C)O4 15252163 SDRFUMALSDZIDC-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF biogenic,in-vitro COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586915514 FBYZTBCNEXMSJC-WXVAWEFUSA-N 406.485 6.086 5 1 HKBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587241747 HPXVZARRAHNGLR-UHFFFAOYSA-N 407.517 6.911 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)[nH]c2c1 587645785 KBTVJUHIKZABMA-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF CC(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] 587746730 KVKAEIOSAFHUIY-NSPYISDASA-N 407.283 5.243 5 1 HKBF COc1cccc(C(=O)c2c(-c3ccc(OC)cc3[N+](=O)[O-])sc3ccccc23)c1 45358088 ZNKOKSFIMCZDAZ-UHFFFAOYSA-N 419.458 5.725 5 1 HKBF O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276136 AVZGBGRFRXXNEP-ZDCXKQOISA-N 417.468 6.186 5 1 HKBF COc1cc2c3c(c1)O[C@@](C)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587446039 RZENVHZRFDAKMJ-DWACAAAGSA-N 404.465 6.255 5 1 HKBF Cc1cc(C(=O)c2ccc3c(ccn3-c3ccc(C(=O)O)cc3)c2)c([N+](=O)[O-])cc1C 1857575632 XCPAMUSDZVTBEJ-UHFFFAOYSA-N 414.417 5.085 5 1 HKBF CC1(C)CC(=O)c2c(nc3c4c([nH]c(-c5ccc([N+](=O)[O-])cc5)c24)CC(C)(C)C3)C1 5963736 AQUJFSUMKDHESO-UHFFFAOYSA-N 403.482 5.418 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1 587135583 IMMRGICYHNGODM-UHFFFAOYSA-N 417.774 6.184 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(Cl)c1 962642961 OVEVSUOFNNZPRW-HYBUGGRVSA-N 419.912 5.085 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1C(F)(F)F)N2 64548962 GMDYYDWJVZBIRM-UHFFFAOYSA-N 407.739 5.216 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(C(F)(F)F)cccc12 169337749 BGRYFOTVYRZUPY-FOIQADDNSA-N 407.863 6.231 5 1 HKBF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587115774 AOIUAGVWUNIWMU-UHFFFAOYSA-N 416.366 5.288 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c1)O2 587380575 WKQVBWZDXLNLBE-OAQYLSRUSA-N 424.840 5.638 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750424 IBWQOFUKXPCWBM-NSPYISDASA-N 415.262 5.273 5 1 HKBF CCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337869 ZVLYIUPXNPYBMJ-IBGZPJMESA-N 415.377 6.064 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl 587048536 XABMTRLLUVLTMS-RQOWECAXSA-N 418.709 5.344 5 1 HKBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587067172 WPNLVOMIRWITCP-UHFFFAOYSA-N 407.904 7.289 5 1 HKBF O=C(c1nc2c3cccnc3c3ncccc3c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133451 QAYCHRAJLJTYFI-UHFFFAOYSA-N 411.223 5.336 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587466793 OFECISFRWKXTGH-DEOSSOPVSA-N 421.424 5.301 5 1 HKBF CCN(c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1[N+](=O)[O-])C(C)C 1857571970 IPTGGSQYEDRMQA-UHFFFAOYSA-N 408.458 5.045 5 1 HKBF O=[N+]([O-])c1ccc(CN(Cc2c[nH]cn2)c2cccc(Oc3ccccc3)c2)cc1 601999 RVSRBXPZAIWRSK-UHFFFAOYSA-N 400.438 5.317 5 1 HKBF COc1cc2cc([C@H](O)C3CC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 13818032 MLFLAFFZWZJJPF-NTPKGFMYSA-N 412.575 5.009 5 1 HKBF O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276138 AVZGBGRFRXXNEP-QZIBZCQVSA-N 417.468 6.186 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)nn1CC(F)(F)F 587091635 LVDZYKHDYJDJGJ-UHFFFAOYSA-N 419.388 5.048 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)O2 587411757 VMPHGDZDZCBFPO-FQEVSTJZSA-N 412.511 5.617 5 1 HKBF Cc1nn(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)c1[N+](=O)[O-] 587627701 IWLBAZAKHMJJPS-UHFFFAOYSA-N 406.286 5.225 5 1 HKBF O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645550 YSMWONSWDIVNNP-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Oc1ccc([N+](=O)[O-])cc1Cl 587649730 SMNRHKZTUPUVPS-UHFFFAOYSA-N 422.890 5.223 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587098096 RACDDTYZGHSYNX-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF Cc1ccc(NC2(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CCCC2)cc1 587237238 NOBSGDBVVBZWRL-UHFFFAOYSA-N 415.291 5.423 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 587934933 IGZIQQNHDZSQKB-UHFFFAOYSA-N 424.254 5.576 5 1 HKBF CC(C)(C)c1cccc(Nc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])c1 1911578872 VKBGUJJNFSDUMZ-UHFFFAOYSA-N 418.449 5.565 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3cccc(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037638 LQDJAMJNSQUGLY-UHFFFAOYSA-N 422.466 6.038 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1ccc(CC)o1)CC2=O 587468895 BQMISKPTIYJQGA-DEOSSOPVSA-N 421.449 5.317 5 1 HKBF CCCCCCN(CCCCCC)C[C@H](O)c1cc2ccccc2c2ccccc12 100690876 JFJMKBYSQFAIPR-NDEPHWFRSA-N 405.626 7.489 5 1 HKBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O 587458858 FXEPNZCVNPKKPT-NRFANRHFSA-N 419.861 5.104 5 1 HKBF Cc1ccccc1-c1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587959983 UBJAHLCOKGQIRW-UHFFFAOYSA-N 400.485 6.226 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C 104377224 GMQZSQMIENYQEB-CBTDHHBPSA-N 410.598 5.751 5 1 HKBF in-man O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337952 UTOLDRWVHYTLAN-FOIQADDNSA-N 408.756 6.519 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc([N+](=O)[O-])c1 587136188 WULWCDUCNACSIP-UHFFFAOYSA-N 417.322 5.013 5 1 HKBF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 40847846 AYENHRLCFNULJT-UHFFFAOYSA-N 403.423 5.063 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2n(C)c2ccc(Cl)cc12 101703408 PNPOQWXFATWNBY-KRWDZBQOSA-N 423.004 6.407 5 1 HKBF Cc1c(-c2nnc(-c3ccccc3)o2)c(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1 103229688 AXMNVBSMVRDHSP-UHFFFAOYSA-N 423.432 5.473 5 1 HKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 586982504 LENKZYWMWCITMR-ZDUSSCGKSA-N 403.280 5.001 5 1 HKBF O=C1C[C@@](c2ccccc2)(c2ccc(F)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587507605 RLPCLURHUVGBOX-RUZDIDTESA-N 417.436 5.522 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c12 587645085 UVJOPRQDVATFJS-UHFFFAOYSA-N 417.679 7.370 5 1 HKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1ccccc1 776241 WTVWOKOYWOIPBC-UHFFFAOYSA-N 413.861 5.131 5 1 HKBF Nc1c2c(nc3c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc4ccccc14)O3)CCCC2 71330000 ZAYJCQAUIAWUDR-QFIPXVFZSA-N 423.472 5.890 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccc(F)cc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204974198 TYUMSTKHKAJFIM-UHFFFAOYSA-N 420.421 5.890 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085803 IQMMOGLSWXIDHI-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)o1 587265787 SRJFBLSGNFAQJS-UHFFFAOYSA-N 402.179 5.300 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)CC2=O 587471247 PEIUNIUQYHEFEH-HSZRJFAPSA-N 419.433 5.752 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc4ccccc4nc23)N1 587780113 YKUAGOHLGLNYTH-QKVFXAPYSA-N 422.301 5.308 5 1 HKBF O=C1N[C@H](O)c2c1c1c3cc(CC=C4CCCC4)ccc3[nH]c1c1[nH]c3ccccc3c21 1857572944 DANHQWIOQPTARR-AREMUKBSSA-N 421.500 5.733 5 1 HKBF COc1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2cc1O)OC(C)(C)C=C4 14768897 RZFMMNJGXMKVKH-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF biogenic O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c1 587060266 IUIXRLSVKDXYSU-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587072523 RMNWXTWFBLOILY-XMXILSIWSA-N 403.269 5.539 5 1 HKBF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587170582 QUJNYVTXWOQYJS-VIFPVBQESA-N 410.268 5.269 5 1 HKBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)CCC=C(C)C 13393279 JLTSTSRANGPLOQ-RIYZIHGNSA-N 410.466 5.307 5 1 HKBF in-vitro O=c1c2ccccc2c(Cc2ccc3ccccc3c2)nn1-c1ccc([N+](=O)[O-])cc1 40564466 JKPIYKZHSXLFEH-UHFFFAOYSA-N 407.429 5.038 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(F)cc3c3ncccc13)CC2=O 587471714 MNAJRMSVQUZBAZ-OAQYLSRUSA-N 402.425 5.287 5 1 HKBF Fc1c(F)c(F)c(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F 587135118 SOJCLYHTNUUEMC-WAYWQWQTSA-N 412.321 5.525 5 1 HKBF COc1cccc(-c2cc(-c3ccc(F)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587360304 OCXLNTFUWXTBFT-UHFFFAOYSA-N 414.392 6.371 5 1 HKBF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644687 KGQRZFMVQOIJKR-UHFFFAOYSA-N 413.260 6.726 5 1 HKBF Cc1cccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)c2cc(Cl)ccc2O)c1 587644963 SEQWGBUAJJUBQN-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(-c2ccc(Cl)cc2)n1 1772589412 MLGXAWGKQVPURR-UHFFFAOYSA-N 410.868 5.380 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(CCCCCCCCCCCO)[nH]c12 586894353 AEIGLAFAXNNABV-UHFFFAOYSA-N 412.328 5.279 5 1 HKBF c1coc(CNCc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c1 587231890 HIVXAHYWHMMCSW-UHFFFAOYSA-N 405.461 5.209 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)o1 587264491 GOBSOMIVRBVVRA-UHFFFAOYSA-N 419.622 5.209 5 1 HKBF O=[N+]([O-])c1ccc2c(CCc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2c1 587644145 OBKHJFRJUPGWQX-UHFFFAOYSA-N 421.294 6.291 5 1 HKBF O=c1c2cc3ccccc3cc2nc(SCc2ccccc2)n1Cc1ccccc1 1857542336 JYPHSXWWIVLMSY-UHFFFAOYSA-N 408.526 5.890 5 1 HKBF CC(=O)c1ccc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 586881135 SUZXSXVORBRGRB-UHFFFAOYSA-N 414.468 6.196 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3cc3ccccc23)N1 587817701 AAZNASYMMFOQPJ-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)cc1 82174343 FMLVDFYUHIPKRG-UHFFFAOYSA-N 403.467 5.150 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338537 TWYFDFGEPAWOOF-IERDGZPVSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Cl 587047356 HJUWPSCPUKVTQG-VURMDHGXSA-N 401.813 5.391 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1[N+](=O)[O-] 587128532 OOSIWEYSLIGXQZ-UHFFFAOYSA-N 417.353 5.107 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131737 SJUUQKHDPAFQBQ-UHFFFAOYSA-N 408.202 5.115 5 1 HKBF CCCC[N+](C)(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 84689831 VRVNUODNPJCXMR-UHFFFAOYSA-N 409.541 6.575 5 1 HKBF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 100812969 ANLHBKWHZRLXRB-RUHQCOCSSA-N 407.513 5.623 5 1 HKBF Cc1c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587260848 IUHGEURLFWEMOV-UHFFFAOYSA-N 418.291 5.634 5 1 HKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cccc3cc4ccccc4c1c23 587483487 QJTVAULFIGWGBI-MHZLTWQESA-N 408.453 5.708 5 1 HKBF CCSc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613034 MKVJFIXMVROEIU-SIKLNZKXSA-N 423.446 5.115 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc4ccccc4nc23)N1 587776233 CDXSNPNMPSTRLB-YTEVENLXSA-N 422.301 5.308 5 1 HKBF CCN(CC)CCn1c2ccc(OC)cc2c2sc3cc(Cl)ccc3c(=O)c21 1857595133 WWGKNXYVASVTIH-UHFFFAOYSA-N 414.958 5.373 5 1 HKBF O=C1[C@H](c2cccc3ccccc23)Oc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1857640778 FUTGKTZFYDJNMF-DEOSSOPVSA-N 410.429 5.415 5 1 HKBF COC(=O)/C=C\C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC 238738761 UNTSJRBZLAUZBX-HBNOJVOBSA-N 408.538 5.899 5 1 HKBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587201146 HQANRDUEEZAQBX-UHFFFAOYSA-N 419.529 5.240 5 1 HKBF CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644702 KZUKQZYMOPEFOC-UHFFFAOYSA-N 424.196 5.135 5 1 HKBF CCN(CC)c1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857750188 HSEYIRIPPJQNEC-UHFFFAOYSA-N 413.481 5.217 5 1 HKBF COc1cc2nc3nc(-c4cccs4)c(-c4cccs4)nc3nc2cc1OC 28475194 VQHISCFWLKYXJY-UHFFFAOYSA-N 406.492 5.047 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587747608 OZPJMMMYZHLDOP-CWTRNNRKSA-N 407.283 5.074 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 1857548578 GGCQKPARLSNYBB-UHFFFAOYSA-N 419.224 6.297 5 1 HKBF COc1ccc(-c2nc3c([nH]2)c2c(C)coc2c2ccc4c(c23)CCCC4(C)C)cc1 1857653889 SPMZJLJERLLRDG-UHFFFAOYSA-N 410.517 7.060 5 1 HKBF O=[N+]([O-])c1ccc(SN2CCC3(CC2)O[C@H](c2ccccc2)c2ccccc23)cc1 142242032 KUWJLSNJCFZQAA-HSZRJFAPSA-N 418.518 5.713 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338534 TWYFDFGEPAWOOF-HRAATJIYSA-N 407.863 6.231 5 1 HKBF Fc1cc(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br 587136798 WBNSHJKRQLAFBR-UHFFFAOYSA-N 411.209 5.367 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccccc3Br)c(-c3ccc(F)cc3)[nH]c2c1 587645683 HUJVKHODNXHDSV-UHFFFAOYSA-N 411.230 6.312 5 1 HKBF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc([N+](=O)[O-])cc4)c3O)c2)c1 587927789 YJRUZZUBDMSQSH-UHFFFAOYSA-N 402.406 5.139 5 1 HKBF O=[N+]([O-])C[C@@H]1c2cc([N+](=O)[O-])ccc2C=C(c2ccccc2)N1c1ccc(Cl)cc1 653801337 SCNQVXJXSJEQEM-JOCHJYFZSA-N 421.840 5.584 5 1 HKBF Cc1ccc2c(O)nc3c(C)cc(O)c(-c4ccc([C@@H](C)CN(C)C)cc4)c3c2c1 1857568717 PHLPGFBSCXNSGU-KRWDZBQOSA-N 400.522 5.748 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174621 AMQKHRFSFTVOEU-GJZGRUSLSA-N 423.542 5.220 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 169338531 TWYFDFGEPAWOOF-KKSFZXQISA-N 407.863 6.231 5 1 HKBF Clc1ccccc1-c1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587062577 GYMDRGYWOFPCIG-UHFFFAOYSA-N 420.903 6.571 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1 587135469 CEOQLPZGBSUFFV-UHFFFAOYSA-N 416.334 5.666 5 1 HKBF Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c([N+](=O)[O-])c1 587511201 NXDGSYINDRXBKP-HSZRJFAPSA-N 403.434 5.749 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 29205991 OSMONFDUBXBRCP-QGZVFWFLSA-N 422.533 5.204 5 1 HKBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587067128 VHKYPTRTLFUSSE-SECBINFHSA-N 410.655 5.335 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587108934 CWCOGLPSRLHNKH-UHFFFAOYSA-N 423.700 5.753 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)o1 587265839 UFGHRUADZLBJQS-UHFFFAOYSA-N 402.179 5.300 5 1 HKBF O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645293 OLRJGWQCGXOMQI-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 28710972 YKVHYCOOFNVIBB-UHFFFAOYSA-N 401.319 5.216 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)O2 587409147 GVBNHHUQZRACQV-HXUWFJFHSA-N 406.463 5.343 5 1 HKBF Cc1cc(Br)cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109014 FXITZWOPOJIGOI-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267929 USTFPASSGSCNBX-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF CC(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577877 UJNZRKWUPFVUOO-NZQKXSOJSA-N 405.406 5.127 5 1 HKBF Cc1ccc(C)c(SCc2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2F)c1 587646298 ZNSPTZVZTPCHMH-UHFFFAOYSA-N 406.482 6.791 5 1 HKBF COc1ccc(-c2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)o2)cc1[N+](=O)[O-] 963114107 WKGOGTBVFIMNCT-HXUWFJFHSA-N 419.264 5.405 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1[N+](=O)[O-] 587126234 WJQOBCCKVRDOOE-ZZXKWVIFSA-N 410.333 5.162 5 1 HKBF Cc1cccc([C@]2(c3ccc([N+](=O)[O-])cc3)NCCc3cc(-c4ccccc4)ccc32)c1 962659025 FDRUKXSMPFWEKX-NDEPHWFRSA-N 420.512 6.008 5 1 HKBF CC[C@@H](C)C(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432829 MZDWEKUMUXAYRL-CYBMUJFWSA-N 402.523 5.184 5 1 HKBF biogenic CCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br 586977339 LUNYMBUXWVVYPJ-UHFFFAOYSA-N 403.283 5.651 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3OC)o1)CC2=O 587473667 YXYISBWXKRZHEB-JOCHJYFZSA-N 423.421 5.228 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587954676 ARIVXFOSWXPLEL-KRWDZBQOSA-N 422.282 5.608 5 1 HKBF Clc1ccc(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)nn1 587087160 ILHYGFUEWZAKHR-UHFFFAOYSA-N 406.876 6.647 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2c1[N+](=O)[O-] 587577309 RVOVPSDLKPHSPS-HYBUGGRVSA-N 413.385 5.157 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587071614 LKHNGRYMQNYJLK-YZJMHRKOSA-N 402.281 6.144 5 1 HKBF FC(F)(F)c1nc2ccncc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587115909 DTSLUCVIQJZLSL-UHFFFAOYSA-N 414.390 6.498 5 1 HKBF O=C(O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1[N+](=O)[O-] 587627562 CQEBVYTUJPRIEH-UHFFFAOYSA-N 418.249 5.479 5 1 HKBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2ccc([C@H](C)CC)cc12 587642155 PRQICBUYJPPDBQ-GFCCVEGCSA-N 400.862 6.087 5 1 HKBF O=[N+]([O-])C[C@H]1c2cc([N+](=O)[O-])ccc2C=C(c2ccccc2)N1c1ccc(Cl)cc1 653801338 SCNQVXJXSJEQEM-QFIPXVFZSA-N 421.840 5.584 5 1 HKBF CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)O 2356695392 FOIFOTKOVLXQJE-UHFFFAOYSA-N 418.665 8.680 5 1 HKBF CN(C)CCCNc1[nH]c2ccccc2c2nc3c(ccc4ccc([N+](=O)[O-])cc43)c1-2 100910385 ZIWRVVOPHMKGJU-UHFFFAOYSA-N 413.481 5.246 5 1 HKBF Cc1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587073513 KBHWUOQXDFYCGR-RGEXLXHISA-N 417.896 6.606 5 1 HKBF CC1(C)CC(C)(C)c2cc(NC(=S)NCc3ccc([N+](=O)[O-])cc3)ccc2S1 1857559213 CMCKNXIYQRDVEO-UHFFFAOYSA-N 415.584 5.633 5 1 HKBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc(-c2ccccc2)cc1 29135669 QIGOZYRJSSHXPC-UHFFFAOYSA-N 424.456 6.093 5 1 HKBF CCCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 49069580 VDHXRGDGOVVIMJ-UHFFFAOYSA-N 417.349 5.267 5 1 HKBF O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644736 BMIXYKUGVXNBDQ-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645416 UGRBIGJXGGITQF-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF COc1cc(F)c2c(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3[nH]c2c1 1911577962 OYSIWQHFVXULED-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c1 587270398 NODIMVRXPDYVJB-UHFFFAOYSA-N 413.206 5.102 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CC1)CC2=O 587471468 RFLCILLNFZTVTP-HSZRJFAPSA-N 406.438 5.005 5 1 HKBF O=C1N[C@@H](O)c2c1c1c3cc(CC4=CCCCC4)ccc3[nH]c1c1[nH]c3ccccc3c21 1857547815 OOLAPUBGFXHZAQ-SANMLTNESA-N 421.500 5.733 5 1 HKBF CCN(CC)CCCn1c2ccc(OC)cc2c2sc3cc(OC)ccc3c(=O)c21 43079982 QRJSHUZXOMRSOI-UHFFFAOYSA-N 424.566 5.119 5 1 HKBF CCCCCc1nc(-c2cnc(N[C@H](C)CC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174693 FNEYXNJQSJHNEP-OAHLLOKOSA-N 423.517 5.958 5 1 HKBF CC[N@+](C)(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1 254132293 LQJYMJFNGHNDOF-JLMWRMLUSA-N 410.363 5.250 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nc4ccccc4nc23)N1 587776230 CDXSNPNMPSTRLB-IPQOISQHSA-N 422.301 5.308 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2=O 587493914 IXVYJAPGBRWTHK-HSZRJFAPSA-N 423.490 5.862 5 1 HKBF Cc1c(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)cccc1[N+](=O)[O-] 587211196 NEJJQGUCVYIBAG-UHFFFAOYSA-N 409.445 5.469 5 1 HKBF O=C(c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645920 FDYDQKZMTYVKMM-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4o3)c12 587646402 RNQRKRAUEWPDTK-UHFFFAOYSA-N 423.350 6.570 5 1 HKBF CC(=O)Nc1ccccc1-c1nc2cc3ccccc3cc2n(Cc2ccccc2)c1=O 977198 DJCOWAWXBNDBEA-UHFFFAOYSA-N 419.484 5.223 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccccc3F)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204999656 HXVAWEPENFZEBS-UHFFFAOYSA-N 420.421 5.890 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccc3ccccc3c12 587602964 LVCRBPFTLYRLTD-LSYYVWMOSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)c1 5933132 BBHZULZOWGSMKG-UHFFFAOYSA-N 401.047 5.062 5 1 HKBF C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 139610639 JDXOBSYZOUGBBE-UHFFFAOYSA-O 413.350 5.048 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2ccc(Cl)cc12 169338497 PPQUYMLWJIPCGF-KKSFZXQISA-N 407.863 6.231 5 1 HKBF CC(C)(C)OC(=O)N1CCC[C@H](c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2)C1 587649074 PBPOPIJBSMAAIZ-KRWDZBQOSA-N 421.497 5.858 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746363 JQVLHIVXDSQJKU-CPZXCXARSA-N 405.267 5.175 5 1 HKBF CCN(CC)c1ccc(-c2ccc3cc(-c4ccc([N+](=O)[O-])cc4)c(=O)oc3c2)cc1 71296809 DDSJYNZVRYYTLS-UHFFFAOYSA-N 414.461 5.881 5 1 HKBF CC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331772 FLEWUQKDEMZCAO-FYYLOGMGSA-N 407.397 5.104 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc([N+](=O)[O-])c1)c1ncccc1C 963237681 YRDBGKQFIAYGKA-KBMIEXCESA-N 401.510 5.247 5 1 HKBF CCn1c2nc(-c3ccccc3)nc(=O)c-2c(NCc2ccccc2)c2ccccc21 40943490 IBMBQXBZUVYWAS-UHFFFAOYSA-N 406.489 5.195 5 1 HKBF CC(=O)Cc1cc2oc3cc(=O)c4cc(C(C)C)cc5oc6cc(=O)c(c1)c2c6c3c54 146030275 DGQGUKGAJLQNFS-UHFFFAOYSA-N 410.425 5.490 5 1 HKBF COC(=O)c1cc(Cl)c2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1 587273045 ZFPQBBSZJGLRIH-UHFFFAOYSA-N 423.812 5.370 5 1 HKBF O=c1c2c3c(sc2[nH]c(=S)n1-c1ccccc1)CCCc1ccc([N+](=O)[O-])cc1-3 1661848 AUBWNPWIPTWATM-UHFFFAOYSA-N 421.503 5.174 5 1 HKBF CCc1ccc(OCCC[C@@H](O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 45354256 ZRVNMEZPZXJOIW-DEOSSOPVSA-N 404.462 5.065 5 1 HKBF O=[N+]([O-])c1cccc(N2[C@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276130 IFPSMIWBFPNEMM-QZIBZCQVSA-N 417.468 6.186 5 1 HKBF CC[C@H]1C[N@@+]2([O-])CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 299854602 AGLGJFNSMGBVNR-SPONLYLISA-N 418.537 5.077 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c1 587269389 BUVQZSWTUXLZPQ-UHFFFAOYSA-N 413.206 5.102 5 1 HKBF Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c(Cl)c1 587644464 FAUPTZDMZNEWJY-UHFFFAOYSA-N 419.868 6.266 5 1 HKBF COc1ccc([C@@H]2NCCc3c2sc(C)c3C)cc1COc1cccc([N+](=O)[O-])c1 963011249 OTPQKRZKXKQSHI-QFIPXVFZSA-N 424.522 5.096 5 1 HKBF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13830647 JCFITQHCTOJUNS-VEYUFSJPSA-N 424.500 5.654 5 1 HKBF CC(C)(C)OC(=O)CN(Cc1ccc2ccccc2c1)Cc1ccc([N+](=O)[O-])s1 84709711 GEFBXLLSNMJWSK-UHFFFAOYSA-N 412.511 5.153 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337950 UTOLDRWVHYTLAN-QRWLVFNGSA-N 408.756 6.519 5 1 HKBF Cc1ccc(-n2c(C)nc3c(-c4ccc(Cl)cc4)nc4ccccc4c3c2=O)cc1 28646047 MMOOICJILFWOAL-UHFFFAOYSA-N 411.892 5.871 5 1 HKBF CC(C)CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 73142260 XLHVTKIMNYRMGW-UHFFFAOYSA-N 404.901 5.566 5 1 HKBF O=C1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95585919 FFXWOAKRZXWYJW-NRFANRHFSA-N 424.909 6.019 5 1 HKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587035073 UCDVXUSERGLQKJ-ZDUSSCGKSA-N 412.446 5.096 5 1 HKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1F 587138884 AGZCFBPLXHKXRG-UHFFFAOYSA-N 405.010 5.347 5 1 HKBF O=c1c(-c2ccccc2)c[nH]c2cc([N+](=O)[O-])c(/C(Cl)=C/c3ccccc3)cc12 5581827 HVYIIKIMQGEMEM-JAIQZWGSSA-N 402.837 5.840 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587135967 TWKFLMXPFUNNEY-UHFFFAOYSA-N 400.772 5.440 5 1 HKBF Cc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)c2)cc1F 587144662 BPNQSVGCHKAZMX-UHFFFAOYSA-N 416.239 6.559 5 1 HKBF COc1ccc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 587934985 KDYYDJGZTVRHKR-UHFFFAOYSA-N 402.457 6.002 5 1 HKBF O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCN2CC[C@@H]3CCCC[C@@H]3C2)cc1 40410591 PQZJCZJMUZVPSP-RBUKOAKNSA-N 423.513 5.091 5 1 HKBF Oc1c(-c2cc3nc4c(O)nc(S)nc4nc3c3ccccc23)ccc2ccccc12 72110445 GOISQHPXOAJWSJ-UHFFFAOYSA-N 422.469 5.246 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2nc2ccccc12 587588010 RATZYJWYNQIZNI-SQHAQQRYSA-N 419.436 5.797 5 1 HKBF CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644640 JKMNRLUWXKESDY-UHFFFAOYSA-N 414.889 6.063 5 1 HKBF O=[N+]([O-])c1ccc2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)[nH]c2c1 587644682 ALGVVJXRUKTJEY-UHFFFAOYSA-N 402.376 5.537 5 1 HKBF CCCCc1cc2c3ccc(OC)c(OC)c3c[n+]3c2c2c(cc4c(c12)OCO4)CC3 1857578012 UHHWIQQEPPZALW-UHFFFAOYSA-N 416.497 5.078 5 1 HKBF O=[N+]([O-])c1cn(C[C@@H](OCc2ccc(F)cc2)c2ccc(Cl)cc2Cl)cn1 66079359 CRTHYQKBIKJNIJ-QGZVFWFLSA-N 410.232 5.195 5 1 HKBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163690 ZNVGPBAVSMMVNL-KBPBESRZSA-N 423.542 5.274 5 1 HKBF Cc1ccc(-c2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c(C)s2)cc1 587013319 UPKDSSDXZYTVMO-UHFFFAOYSA-N 407.502 6.067 5 1 HKBF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587074614 YGXHSKTUXGSTMO-UHFFFAOYSA-N 420.903 6.955 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)Cc2ccccc2[N+](=O)[O-])N1 587748025 RSVXDDAOTYLMMH-VFGMZZLHSA-N 421.310 5.125 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587843599 JDHQOXDVAVSTBL-NZFNHWASSA-N 419.703 5.009 5 1 HKBF O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1 29344381 UEFZKRWCBHMIDQ-VWNXMTODSA-N 402.494 5.064 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163499 UIVBQKGAXFOOAE-DJJJIMSYSA-N 423.542 5.783 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)CC2=O 587468740 CZAXFLGKMALJOP-HSZRJFAPSA-N 419.433 5.752 5 1 HKBF CCCc1ccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1772631525 BHHUMQACXLNCBJ-UHFFFAOYSA-N 403.438 5.052 5 1 HKBF O=C1c2ccccc2-c2cc(-c3c4ccccc4cc4ccccc34)nc3cccc1c23 587207911 ONASZCQIFKFAHM-UHFFFAOYSA-N 407.472 7.420 5 1 HKBF COc1ccc2cc([C@@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2c1 587933985 CRKZIHWKGYDDRT-OAHLLOKOSA-N 404.473 5.973 5 1 HKBF C[C@]1(COc2ccc3c(c2)oc(=O)c2ccccc23)NCCc2cc(Cl)ccc21 963390520 KNATXKGWLNWLPH-XMMPIXPASA-N 405.881 5.040 5 1 HKBF CCCN(CCC)c1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 71341588 LZNMTBSUZSPZAB-RMLRFSFXSA-N 422.532 6.340 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(Cl)c4Cl)cc3)[C@@H]1C2 95564924 IBXQUHBHEHKRIE-UNMCSNQZSA-N 415.428 7.229 5 1 HKBF Cn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccc(Br)cc3c21 169309491 BORDLGGDKAWQTQ-UHFFFAOYSA-N 411.347 5.039 5 1 HKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(F)c1 587144681 NAODXZSFYKBRCT-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF CC(C)c1ccc([N+](=O)[O-])c(C(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 40764425 RXIXKZCFROEERV-UHFFFAOYSA-N 424.350 5.199 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2n(C)c2cc(Cl)ccc12 101636004 AZTKBPQCLNPVQN-QGZVFWFLSA-N 423.004 6.407 5 1 HKBF Oc1c(Br)cc(Br)c2nc3cc(Cl)c(Cl)cc3nc12 653872485 ADRKNNSOIWFFBT-UHFFFAOYSA-N 422.891 5.320 5 1 HKBF Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c1 586969314 QFLRPQNCEUSWDP-UHFFFAOYSA-N 420.332 5.957 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])CC2=O 587468045 ADDZHBHOOGWXJU-JOCHJYFZSA-N 406.438 5.059 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587751241 LQNGPXIPYZXHPE-TVMTVWKQSA-N 417.278 5.341 5 1 HKBF COc1cc(C[C@@H](O)c2ccc(-c3cccc(Cl)c3)cc2)c([N+](=O)[O-])cc1OC 653714220 ADLWXIAXNUKYIU-HXUWFJFHSA-N 413.857 5.209 5 1 HKBF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 40951901 CUJRWBUBAQUJIX-ZDKIGPTLSA-N 415.578 6.632 5 1 HKBF COc1ccccc1Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587241366 ZTKZDCOSJAMRMX-UHFFFAOYSA-N 417.472 6.079 5 1 HKBF COc1ccc(-c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c([N+](=O)[O-])c1 587627992 NRLYGZSAMDQSDW-UHFFFAOYSA-N 418.293 6.098 5 1 HKBF CC(C)CCOc1ccc(Br)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586982080 OZPUGSXUANRXBV-UHFFFAOYSA-N 404.264 5.326 5 1 HKBF Nc1[nH]nc2nc(-c3ccc4c(c3)CCCC4)cc(-c3cc([N+](=O)[O-])ccc3Cl)c12 1857771864 PRGOYIKNDSYBDU-UHFFFAOYSA-N 419.872 5.315 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc(N3CCCCC3)ncc2-c2nc3ccccc3s2)cc1 82174529 YWQLANNNRWEDPG-UHFFFAOYSA-N 417.494 5.319 5 1 HKBF CCCCNc1c2c3ccc(Sc4ccc(OC)cc4)c4cccc(c-2nc1=O)c43 95593750 BNTOBHKNATVJRV-UHFFFAOYSA-N 414.530 6.100 5 1 HKBF COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2cc([N+](=O)[O-])ccc12 587644407 BHVGRGFQHQTTAT-UHFFFAOYSA-N 411.801 5.147 5 1 HKBF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644779 NLTSCRXTBHODMU-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF COc1cc(F)cc2[nH]c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3c(=O)c12 1911581548 IFXBFYHDYVJBHA-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)CC)cc1)c1ccccc1 58574741 XLYKUEISGAARKZ-DQSJHHFOSA-N 400.586 6.531 5 1 HKBF in-vivo Cn1c2nc3ccccc3c-2c(NCCCNC(=O)c2cccs2)c2ccccc21 103077891 SRAZJVJBILMXJO-UHFFFAOYSA-N 414.534 5.125 5 1 HKBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587109932 XMPCEMZIVUYCNN-UHFFFAOYSA-N 406.363 6.253 5 1 HKBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Cl)c(Cl)c1 2356829789 JFIAEHJDVCOXPD-UHFFFAOYSA-N 402.257 5.244 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccncc2c2c(Cl)cc(Cl)cc12 32187789 INMSLSIRKJWEFP-JOCHJYFZSA-N 419.396 6.630 5 1 HKBF Cc1ccc(Nc2ccc3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 263614241 DKQUIODWVIDJTF-UHFFFAOYSA-O 405.525 5.916 5 1 HKBF in-vitro Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587644977 SMTLGNUAEBRNBV-HXUWFJFHSA-N 420.852 5.921 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(OC(F)F)cc3)c2c1 653713170 OIZWXFDWUKARJV-UHFFFAOYSA-N 414.839 5.685 5 1 HKBF O=C1C[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Oc2c1ccc1c2CCCC1 587531096 JOLKDAQCFGFSMF-FQEVSTJZSA-N 405.475 5.909 5 1 HKBF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587646541 FUUGHWJYRQLQMY-UHFFFAOYSA-N 413.477 6.120 5 1 HKBF O=[N+]([O-])c1cccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 28817646 QPUDXUWZKJGNBN-UHFFFAOYSA-N 404.175 5.404 5 1 HKBF O=[N+]([O-])c1ccccc1N1[C@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276075 UYZAJZQOTRYWCS-PNDVLSOFSA-N 417.468 6.186 5 1 HKBF O=C1C[C@H](c2cc(Br)c(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587507619 ROAVITQKOPXXIW-GOSISDBHSA-N 420.234 5.082 5 1 HKBF C[C@@H](Cc1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587749826 ZNGXJNTWAAHURD-RDXCRGQUSA-N 421.310 5.125 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)c(F)cc2[nH]1 586969044 MSUVUSJVHFDKLE-UHFFFAOYSA-N 424.295 5.788 5 1 HKBF Clc1ccc(-c2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)cc1 587016623 ZZCCDEYJVZCYFY-UHFFFAOYSA-N 413.893 6.103 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CC2=O 587493754 HQAMVBFUEJPNEN-LJQANCHMSA-N 409.463 5.688 5 1 HKBF O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645539 YJHYFNQRJRIHPF-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)cc1 96269768 UANPKXDLMMRBAX-UHFFFAOYSA-N 420.472 5.381 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccccc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204983101 NXURTXJIVXGDQK-UHFFFAOYSA-N 402.431 5.751 5 1 HKBF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587073739 KZELMEQELNPXPE-UHFFFAOYSA-N 418.927 8.165 5 1 HKBF O=[N+]([O-])c1ccc(OCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1F 587149411 RXQRKGQRBBKUEJ-UHFFFAOYSA-N 420.425 5.466 5 1 HKBF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587149929 OMVXFHORMBTAAK-RUZDIDTESA-N 419.463 6.000 5 1 HKBF Nc1ccc(-c2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)cc1N 587266355 ZHTXCRVFALHALT-UHFFFAOYSA-N 411.421 5.230 5 1 HKBF O=C1c2ccc(O)cc2O[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)[C@@H]1c1ccc(F)cc1 587341974 KYQYIRCAASZXEH-VWNXMTODSA-N 419.408 5.104 5 1 HKBF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 40429864 DDGLNIWIQWQIKI-UHFFFAOYSA-N 421.497 5.355 5 1 HKBF O=C(CNc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1Cl 95581621 FCCHYXVOGLIKKO-UHFFFAOYSA-N 423.881 5.820 5 1 HKBF COc1cccc(-c2cc(-c3cc(F)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587360168 JXGFKFRFOXMUCK-UHFFFAOYSA-N 414.392 6.371 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)cc1 587273402 SPODPYDYKZNXSK-UHFFFAOYSA-N 415.327 5.829 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccc4ccccc4c23)N1 587824867 ZLUGGJJRSMQLFI-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc([N+](=O)[O-])cc2s1 587865202 YZHAJMINAFWIMD-UHFFFAOYSA-N 420.372 5.085 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccncc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204974226 FTCODCYRSIXLRT-UHFFFAOYSA-N 403.419 5.146 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc([N+](=O)[O-])c1 587137265 WPVMYDGUVXVKIW-UHFFFAOYSA-N 419.412 5.414 5 1 HKBF O=[N+]([O-])C[C@H](c1cccs1)c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)ccc12 1857596001 HAXLMARHWZURLI-MRXNPFEDSA-N 400.862 6.098 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc12 3815246 PJELGIDEIWAUCE-UHFFFAOYSA-N 401.245 5.259 5 1 HKBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587163806 TZEQWKDPJDGRDN-UHFFFAOYSA-N 418.431 5.696 5 1 HKBF Fc1ccc(/C=C(\c2nc3c4ccccc4c4ccccc4c3[nH]2)c2cccs2)cc1 587164427 QKDQQPSHHZKCSA-KQWNVCNZSA-N 420.512 7.659 5 1 HKBF Cc1c(O[C@@H](C)c2cc3c4c(cccc4n2)CC3)ccc2c1oc(=O)c1ccccc12 587215814 NQQQINIDKVYGKQ-INIZCTEOSA-N 407.469 6.041 5 1 HKBF Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586969670 VJSUEJYBIBJLEZ-UHFFFAOYSA-N 420.332 5.957 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cc1 587274319 ZKOBGDKJJISTRX-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF O=[N+]([O-])c1ccccc1N1[C@@H](c2ccccc2)[C@]12C(c1ccccc1)=Nc1ccccc12 103276081 UYZAJZQOTRYWCS-DARYULOESA-N 417.468 6.186 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4cc5ccccc5cc4c3)nc3cccc1c23 587208238 SYMFHXMYSYVFBB-UHFFFAOYSA-N 407.472 7.420 5 1 HKBF CCOC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587272600 VYKLDJVYERFLLP-UHFFFAOYSA-N 403.394 5.107 5 1 HKBF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F 587625071 ZWVRTXBLVRZZLG-UHFFFAOYSA-N 424.859 6.731 5 1 HKBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626688 VCOBWHYHEOZDKO-UHFFFAOYSA-N 422.712 6.743 5 1 HKBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2)c(Br)c1 587643571 GMPPAJXKVVZILA-UHFFFAOYSA-N 423.266 6.181 5 1 HKBF CC=C(C)C(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 2356401240 XXJNWQJWTGMXFZ-UHFFFAOYSA-N 400.507 5.104 5 1 HKBF COc1ccc(-n2cc(C(=O)c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])s3)n2)cc1 40933895 GOJWYBNSLLCHHM-UHFFFAOYSA-N 419.462 5.057 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccc(COc3cccc4ccccc34)cc2)cc1F 1857648670 JBDFIYPKAZCAEH-UHFFFAOYSA-N 418.380 6.041 5 1 HKBF O=[N+]([O-])c1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26644259 RGSRKBHTUUKVTA-FQEVSTJZSA-N 413.264 5.731 5 1 HKBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c12 45368320 PATZGIQBOIKCNK-JKSUJKDBSA-N 422.527 5.088 5 1 HKBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])ccc4Cl)nc13)-c1ccccc1C2=O 586992138 DQITZZISFXXHQQ-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1c4ccccc4c(Cl)c4ccccc14)[C@@H](C2)C3=O 587421844 NKHMGBFSRIXLPD-DFBJGRDBSA-N 400.861 6.144 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2oc2ccc(Cl)cc12 95574741 KCIUBAJVEBRSGC-MRXNPFEDSA-N 409.961 6.662 5 1 HKBF CCOc1ccccc1-c1nc2ccccc2c2nc3ccc(C(F)(F)F)cc3n12 224956356 MLMLDIFHEONWDH-UHFFFAOYSA-N 407.395 6.120 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587268681 BHRAFBBEORXHHU-UHFFFAOYSA-N 408.461 6.045 5 1 HKBF CC[C@@]1(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)CC(=O)c2ccccc2C1 587962318 XJVXEFKMDGJDSD-SANMLTNESA-N 406.489 5.427 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2Cc1ccccc1 103263952 QTJUKEFFXJKADG-UHFFFAOYSA-N 409.445 5.725 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587330921 CIRTVUVENQJPFL-GMAHTHKFSA-N 407.397 5.022 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](CC)(CSc1ccccc1[N+](=O)[O-])CC2=O 587489883 FCAFODFNSAMVEM-OAQYLSRUSA-N 401.484 5.159 5 1 HKBF O=c1c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c2ccc(Cl)cc12 653717829 HPKWMYYEPYBNAB-UHFFFAOYSA-N 422.271 5.560 5 1 HKBF CCCCCc1nc(-c2cnc(NCCCC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174032 WWPAJTGRMFZGMG-UHFFFAOYSA-N 423.517 5.960 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1cc(Cl)c1ccccc12 169334003 BFEWGFGGNURVKM-KZULUSFZSA-N 408.851 5.626 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586899002 PZQXTALSAODBNR-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)CC2=O 587468812 DPGHTHPMRHXUSG-QHCPKHFHSA-N 403.434 5.626 5 1 HKBF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@H]2c1ccc([N+](=O)[O-])cc1 962398929 OFZVGRHZDTUXGD-NZQKXSOJSA-N 407.539 5.216 5 1 HKBF COc1cc2c3c(c(OC(=O)c4ccccc4)c4ccccc4c3c1OC)N(C)CC2 2356579693 HWYCOICPPHVBJH-UHFFFAOYSA-N 413.473 5.222 5 1 HKBF CC(C)=CCc1c(O)cc2oc3ccc(C(=O)O)c(CC=C(C)C)c3c(=O)c2c1O 13485441 PMZNKPZOEBJGNV-UHFFFAOYSA-N 408.450 5.073 5 1 HKBF endogenous,in-man C[n+]1c2ccccc2c(NC2CCN(Cc3ccccc3)CC2)c2[nH]c3ccccc3c21 64560097 ROARRCOKZASUSZ-UHFFFAOYSA-O 421.568 5.375 5 1 HKBF COC(=O)Nc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCCN1C3 473111569 ADMFQJXQEPLGTJ-MRXNPFEDSA-N 420.509 5.099 5 1 HKBF Clc1ccc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nc2c1Cl 587083439 UJQGAUJJFCQKFB-UHFFFAOYSA-N 416.271 6.181 5 1 HKBF O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Cl 587150520 LIDOSWRWTXPIFH-LJQANCHMSA-N 415.783 5.571 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccccc3)n2)c1 49115865 IWHRJPQDFJDKQC-UHFFFAOYSA-N 414.450 5.172 5 1 HKBF Cc1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 587037339 HSCQDDYYAZZDNU-UHFFFAOYSA-N 418.503 6.207 5 1 HKBF C[C@@]1(c2cc3cc([N+](=O)[O-])ccc3o2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699089 DUEXGTUYTCUBKM-ZHRRBRCNSA-N 412.486 5.107 5 1 HKBF Cc1nc2ccccc2c2nc(Oc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c12 82150779 RYTFTIRDNAODDK-UHFFFAOYSA-N 415.399 5.313 5 1 HKBF O=[N+]([O-])c1ccc(C[n+]2ccn([C@@H](c3ccccc3)c3cc4ccccc4o3)c2)cc1 95588834 RUAAKYAZVIZCAH-VWLOTQADSA-N 410.453 5.116 5 1 HKBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587200861 ASEUZEZDGRWKML-UHFFFAOYSA-N 419.529 5.240 5 1 HKBF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4cc([N+](=O)[O-])ccc34)ccc21 587646917 APASOCLQMBWFRV-UHFFFAOYSA-N 412.449 5.765 5 1 HKBF COc1ccccc1-c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587930152 DSAWPJQYNIIZBW-UHFFFAOYSA-N 402.457 6.002 5 1 HKBF CCCCCn1cc(C(=O)c2cccc3ccccc23)cc1-c1cccc([N+](=O)[O-])c1 36294615 FQGNQKRWZNTBLM-UHFFFAOYSA-N 412.489 6.638 5 1 HKBF in-vivo O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2)cc1 587271649 DVGXVOQFISVCMP-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF O=[N+]([O-])c1cnc(Nc2ccc3c(c2)CCC3)nc1Nc1ccc(Cl)c(Cl)c1 64503363 GWUOUFDXNLRJQU-UHFFFAOYSA-N 416.268 5.668 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc(N3CCCCC3)ncc2-c2nc3ccccc3s2)c1 82163646 VQTFZVLICIFLRZ-UHFFFAOYSA-N 417.494 5.319 5 1 HKBF CC(C=CC=C(C)C1=C[C@@H]2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=CC=CC=C(C)C=CCO 2356663344 BNPIIBPBTJTVJW-VXQMPNGUSA-N 410.598 5.956 5 1 HKBF Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 26989648 SJJLVULJYAJYEA-UHFFFAOYSA-N 409.486 5.455 5 1 HKBF COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1ccc([N+](=O)[O-])cc1 27526111 GJLBJLKVXLZWPA-UHFFFAOYSA-N 413.882 6.091 5 1 HKBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 1772612288 YROQSGSUYUTYQE-XMSQKQJNSA-N 404.857 5.256 5 1 HKBF COc1cc(F)c2c(=O)c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3[nH]c2c1 1911576609 RBAQMPPAZFKXQA-UHFFFAOYSA-N 403.331 5.395 5 1 HKBF O=[N+]([O-])c1ccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)cc1 28817649 HACUNYBPMJOYLA-UHFFFAOYSA-N 404.175 5.404 5 1 HKBF C[C@H](C(=O)NCCC[N+](C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl 42921597 BSXYTTBFYWHSOB-HNNXBMFYSA-O 409.381 5.053 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 95588179 DEKATNVGSPOALX-RVQAHCINSA-N 415.537 6.841 5 1 HKBF CCCCCCN(CCCCCC)C[C@H](O)c1cccc2ccc3ccccc3c12 169337261 UBFGGUHWNVEDNW-MHZLTWQESA-N 405.626 7.489 5 1 HKBF O=[N+]([O-])c1ccc(NC(=S)Nc2cc3c4ccccc4ccc3c3ccccc23)cc1 299856939 DHCQLCMUFOXTQN-UHFFFAOYSA-N 423.497 6.863 5 1 HKBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587109449 PYRZPWOIJZVWCQ-UHFFFAOYSA-N 408.339 5.043 5 1 HKBF O=[N+]([O-])c1ccc([C@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 27423436 OGNAJABMDPRKPP-HXUWFJFHSA-N 413.264 5.731 5 1 HKBF O=[N+]([O-])c1cncc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073508 JYHLDPPPJLLYCC-ATVHPVEESA-N 404.857 5.693 5 1 HKBF C[C@H](CC(=O)O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644507 YDWYEBIWIGPSRV-SNVBAGLBSA-N 403.232 5.084 5 1 HKBF Clc1cccnc1-c1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cs1 587017157 HKHIHIZZOACKNR-UHFFFAOYSA-N 412.905 6.708 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587110200 VVSUBIDIYXPXOU-UHFFFAOYSA-N 413.355 5.873 5 1 HKBF C[N+]1(Cc2ccc(NC(=O)C3=Cc4cc(-c5ccccc5)ccc4CC3)cc2)CCCC1 6519726 FZMBIRYAUDRMOH-UHFFFAOYSA-O 423.580 6.062 5 1 HKBF CC[C@H]1C[N+]2([O-])CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 45338868 AGLGJFNSMGBVNR-VVBLGJNSSA-N 418.537 5.077 5 1 HKBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Br 586978227 ZHRLDYZHNVLGAF-HYXAFXHYSA-N 408.639 5.066 5 1 HKBF O=C1C[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)Oc2c1ccc1c2CCCC1 587512113 KZSVDISJGUXLIH-VWLOTQADSA-N 416.477 5.616 5 1 HKBF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CO 146164566 CCBSGQLGLZMKTB-ZVLLIQJTSA-N 418.665 8.681 5 1 HKBF CCCCCc1nc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163582 KBEBOHMANZLGSX-UHFFFAOYSA-N 421.501 5.348 5 1 HKBF Cc1cc(Br)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587137778 KXSCJXHLJFKTFX-UHFFFAOYSA-N 407.246 5.536 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587269867 RZSLRRQLMSVNFP-UHFFFAOYSA-N 421.682 5.154 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)cccc4[nH]3)cc2)cc1 587271574 GRWAONFWQWDBNL-UHFFFAOYSA-N 410.227 5.693 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1 95592015 COVMBZWDQXUVLQ-AGZMBGAISA-N 415.537 6.841 5 1 HKBF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C 30730231 FPSYVUBUILNSRF-MQMKOTMBSA-N 402.666 9.709 5 1 HKBF in-vitro Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(C2CCCCC2)c1O 587943819 PNQLKLQVJKDKSU-UHFFFAOYSA-N 413.243 5.054 5 1 HKBF Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1nc(O)c1c(C)cccc12 1857559017 UYPNCDRXSSSFOJ-KRWDZBQOSA-N 400.522 5.748 5 1 HKBF Cc1c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979598 GKEFEYXHOKMDGU-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1[N+](=O)[O-] 587071165 MAIBSSNQLDJMIQ-UHFFFAOYSA-N 424.800 5.279 5 1 HKBF CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511847 JPTUDRFTKYRXOI-RUZDIDTESA-N 417.461 5.538 5 1 HKBF COc1cccc(-c2cc(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587931639 CCUAWEMPTVCELB-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF CCCCCCOc1c(OC)cc(C(=O)OCCCCCC[N+](C)(C)C)cc1OC 26182962 CPLPBJGLIUQZAK-UHFFFAOYSA-N 424.602 5.086 5 1 HKBF COc1ccc(-c2cc3cc(OC)ccc3nc2/C=C/c2ccc([N+](=O)[O-])o2)cc1 299825204 XIWMYPMMJBLNNV-YRNVUSSQSA-N 402.406 5.591 5 1 HKBF c1ccc(CNc2ncccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587229500 HFSOUNWMYFPWHG-UHFFFAOYSA-N 402.461 5.333 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587745494 HITUBRLVFMUQNJ-CWTRNNRKSA-N 407.283 5.074 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3nc3ccccc23)N1 587780247 ZNTHNAUOYZOTPO-ZAMGYDSWSA-N 421.313 5.913 5 1 HKBF COc1ccc2nc(-c3cc4ccccc4c4ccccc34)cc(N3CCCC3=O)c2c1 95576095 DHTPFQIQGZEGJV-UHFFFAOYSA-N 418.496 6.344 5 1 HKBF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586950448 HFMZLKLEJLLNKC-UHFFFAOYSA-N 415.518 5.686 5 1 HKBF Cc1ncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)c1Br 586979589 QUEQIURMSOSKEU-UHFFFAOYSA-N 404.271 5.101 5 1 HKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 587337615 BTLSLLLLPAXKEQ-LADGPHEKSA-N 419.408 5.030 5 1 HKBF Cc1ccc(-n2c3c/c(=N\C(C)C)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 95571678 SQGCKHHJFGIFEA-RMLRFSFXSA-N 419.532 5.886 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)CC2=O 587458863 FXEPNZCVNPKKPT-OAQYLSRUSA-N 419.861 5.104 5 1 HKBF O=C(c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587644703 BCDXRZJGCJVUHW-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587745490 HITUBRLVFMUQNJ-BUXKBTBVSA-N 407.283 5.074 5 1 HKBF Cc1cc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1[N+](=O)[O-] 587015287 KGHAPUMJRCHGPT-UHFFFAOYSA-N 405.266 5.877 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587268779 FJXDYCWDJOTWAF-UHFFFAOYSA-N 410.783 5.411 5 1 HKBF O=C1C[C@H](c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)Oc2c1ccc1c2CCCC1 587512244 MLHCMKYXZHZJLW-HSZRJFAPSA-N 419.433 5.352 5 1 HKBF O=[N+]([O-])c1ccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276134 AVZGBGRFRXXNEP-PNDVLSOFSA-N 417.468 6.186 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccc(Cl)cc12 169338914 ICDSOINTQFZHPW-LHSJRXKWSA-N 408.756 6.519 5 1 HKBF Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512379 NEZIIQCIYNCCPG-QHCPKHFHSA-N 402.450 5.279 5 1 HKBF O=[N+]([O-])c1ccc(Br)cc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962671257 WXRCXMYAHFKTJZ-NRFANRHFSA-N 409.283 5.259 5 1 HKBF CC(C)CC(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432833 MJCMVURMYWVBNE-UHFFFAOYSA-N 402.523 5.184 5 1 HKBF biogenic O=C1c2ccccc2-c2cc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)nc3ccc(O)c1c23 586986570 CUPZAGYVBATHJB-UHFFFAOYSA-N 407.385 5.208 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587846138 UCERIUWHHNDZQM-NZFNHWASSA-N 419.703 5.009 5 1 HKBF COc1ccccc1-c1noc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)n1 1857561541 CXEYZOCQQSNWAM-UHFFFAOYSA-N 405.435 5.472 5 1 HKBF Cc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3nc2NCc2ccc(C)cc2)cc1 72108148 SAPCNKMDEPXFJT-UHFFFAOYSA-N 413.481 5.379 5 1 HKBF Cc1cc(-c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)n(-c2ccccc2)n1 98082319 UHMWDRKLAMCIQR-UHFFFAOYSA-N 421.460 5.609 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Cl 587048052 PLFUYOIHZRTNRJ-BENRWUELSA-N 405.841 5.874 5 1 HKBF CC(C)(C)Oc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(N)cc1F 587136642 UFLAVRFVMURWKK-UHFFFAOYSA-N 401.445 5.225 5 1 HKBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587150693 TVQHXNLUQJCUPV-UHFFFAOYSA-N 410.427 6.215 5 1 HKBF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587191058 KLQSFGYOGNJNRW-KRWDZBQOSA-N 416.865 5.081 5 1 HKBF Cn1cc(-c2nn3cc(-c4ccc([N+](=O)[O-])cc4)nc3s2)c2cc(Cl)ccc21 1857541390 QLOAVPOCMIQJQS-UHFFFAOYSA-N 409.858 5.178 5 1 HKBF COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CCC=C(C)C 2356474941 JLTSTSRANGPLOQ-UHFFFAOYSA-N 410.466 5.307 5 1 HKBF CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1 104071593 GEMZBVJJTVCWFS-NRFANRHFSA-N 410.470 5.279 5 1 HKBF Clc1nc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1-c1ccccc1 587084304 XPBWTVDZEKFLHX-UHFFFAOYSA-N 407.864 6.042 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587273047 ZHCTXYISCZCOEH-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF O=C1C[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)Oc2c1ccc1c2CCCC1 587512390 NGJZXNXQRLFWDS-XMMPIXPASA-N 415.445 5.972 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccc3ccccc3c12 587602955 LVCRBPFTLYRLTD-LBNVMWSVSA-N 418.448 6.402 5 1 HKBF Cc1cc(O)c2c(c1)[C@@H](C(C)C)Cc1cc3c(cc1-2)cc(C(C)C)c1cc(C)cc(O)c13 14637591 WSXCYVPTRKTYTO-JOCHJYFZSA-N 424.584 8.107 5 1 HKBF biogenic COc1cc(-c2ccc3c(cc(OC)c4c5cc(=O)c(O)cc5ccc34)o2)ccc1O 14712900 WHDPFMBDOOMEEQ-UHFFFAOYSA-N 414.413 5.195 5 1 HKBF biogenic CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])CC2=O 587472539 JIVPLZGOKYHSIE-HSZRJFAPSA-N 419.433 5.752 5 1 HKBF Cc1ccc(-c2c3c(nc4cnc5ccccc5c24)-c2cc(Cl)ccc2OC3)cc1 1857650975 DBZGTTJVHUILTH-UHFFFAOYSA-N 408.888 6.971 5 1 HKBF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163527 DTHYHMNWIUPJDA-UHFFFAOYSA-N 423.542 5.784 5 1 HKBF O[C@H](CC1CC2CCC(CC2)C1)c1cc2ccccc2c2cc(Br)ccc12 169338103 XARLJFSVTZFUHL-IKAFNHJFSA-N 423.394 7.395 5 1 HKBF Cc1nc(-c2ccccc2)sc1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587011137 HKJAWADHPCUODV-UHFFFAOYSA-N 405.526 6.892 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587063699 ZCJYJWHBJJWURB-UHFFFAOYSA-N 419.622 5.209 5 1 HKBF CC(C)(C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2nc3ccccc3o2)cc1 587649691 XGXPQFBJTSVDEP-UHFFFAOYSA-N 411.461 6.849 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587751112 KTCSFDLRNKBVIN-YUNKPMOVSA-N 421.310 5.224 5 1 HKBF COc1ccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cc1 587936593 VKOFTAFTYGJOLQ-UHFFFAOYSA-N 424.254 5.576 5 1 HKBF O=c1c(Cc2ccccc2)nc2cc3cccnc3c(Cl)c2n1C1CCCCC1 653753052 QGOCLQFNCOLKDV-UHFFFAOYSA-N 403.913 5.694 5 1 HKBF O=[N+]([O-])c1cccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)c1 28712438 MBXQEENHWURKJO-CCEZHUSRSA-N 401.471 5.242 5 1 HKBF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3cccc([N+](=O)[O-])c3)n2)o1 40862783 RAQLZHNDPCQPDG-UHFFFAOYSA-N 403.423 5.063 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccco4)C3=C(O)C2)c1 104001922 KGMJCVXISDORQZ-NPMXOYFQSA-N 401.422 5.817 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(-c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 95586203 ANNONTLEKSMFHK-TVXVBNPNSA-N 413.521 6.843 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])nc3ccc(O)c1c23 586986747 TXDRWDUOSKGZTR-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF O=C(Nc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169339430 DQCNEPPKNOGAMY-UHFFFAOYSA-N 419.220 5.652 5 1 HKBF COc1cccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(Cl)c2)c1 587052592 XCLPEHOTYMGTMO-UHFFFAOYSA-N 414.248 6.121 5 1 HKBF Clc1ccc(CN2CCC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587074819 CURMUTNYYKVRNN-IBGZPJMESA-N 413.912 5.650 5 1 HKBF O=[N+]([O-])c1ccc(Nc2nc(-c3ccccc3)nc3c2ncn3Cc2ccccc2)cc1 40975650 AQQCBPZYBVKEFU-UHFFFAOYSA-N 422.448 5.193 5 1 HKBF in-vivo Cc1cc(Cl)ccc1OCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 587066934 UTZPHKZCABVRPS-UHFFFAOYSA-N 400.909 6.843 5 1 HKBF Cc1cc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1[N+](=O)[O-] 587159652 RXRJWJDBMXPLPU-FQEVSTJZSA-N 411.820 5.740 5 1 HKBF O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)Oc2c1ccc1c2CCCC1 587530791 HOTGSUUJDPLJOO-HXUWFJFHSA-N 405.475 5.909 5 1 HKBF C(=C\c1ccccc1Oc1ccccc1)\c1nc2c3cccnc3c3ncccc3c2[nH]1 587951409 ZNPFEJWJRXVWFY-PFONDFGASA-N 414.468 6.622 5 1 HKBF Cc1ccc(Nc2c3c(=O)nc(-c4ccccc4)nc-3n(C)c3ccccc23)cc1C 40940639 HCXKCFWXNWBXNO-UHFFFAOYSA-N 406.489 5.461 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587047929 BXIYGXDSQILWFE-NWDGAFQWSA-N 405.288 6.237 5 1 HKBF COC(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c1 587135939 SIEHMGPEAVJBIT-UHFFFAOYSA-N 405.385 5.039 5 1 HKBF O=C(O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644472 FKBVXWLHEMKBIE-IBGZPJMESA-N 406.825 5.613 5 1 HKBF O=[N+]([O-])c1ccc2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)[nH]c2c1 587646126 KPMYMORWJLWEAN-UHFFFAOYSA-N 404.388 6.374 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 29337708 JBUPFGZJKWHDBB-LJQANCHMSA-N 406.269 5.213 5 1 HKBF Cc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587260988 OGMXHTKHRISBNU-UHFFFAOYSA-N 416.153 5.108 5 1 HKBF O=C1c2ccc(O)cc2O[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)[C@H]1c1ccc(F)cc1 587341973 KYQYIRCAASZXEH-UPVQGACJSA-N 419.408 5.104 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4c(Cl)cccc4Cl)cc3)[C@@H]1C2 95564925 FKFHDEAJISHGFZ-SFTDATJTSA-N 415.428 7.229 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1ccc(Cl)c2cc3cccc(Cl)c3cc12 169336086 XUIYUEVSQFHUNK-XMMPIXPASA-N 418.408 7.235 5 1 HKBF CCCCCC(=O)OCn1ccc2c(C)c3nc4ccc(OC)cc4c3c(C)c2c1 377840452 IGYWKDJUZWIBNJ-UHFFFAOYSA-N 404.510 6.049 5 1 HKBF Cc1ccc2c3c(cc(-c4cc5cc([N+](=O)[O-])ccc5o4)nc13)-c1ccccc1C2=O 587098179 OCICMFDJWUZTTQ-UHFFFAOYSA-N 406.397 6.076 5 1 HKBF FC(F)(F)c1nc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2[nH]1 587120422 IIDUVBOLVKBOLX-UHFFFAOYSA-N 404.355 5.221 5 1 HKBF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587645517 XUKZVRIGHIWHKX-UHFFFAOYSA-N 400.265 6.139 5 1 HKBF COc1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1 1857605246 AXABXHVNVQIZNX-QGZVFWFLSA-N 412.898 5.967 5 1 HKBF CCOP(=O)(OCC)C(=Cc1ccc([N+](=O)[O-])o1)P(=O)(OCC)OCC 1772576832 VSQFSLSOPDCILY-UHFFFAOYSA-N 411.284 5.018 5 1 HKBF COc1ccc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2C(C)=O)cc1[N+](=O)[O-] 1857548645 PCLCZZFCKJREJP-WYMLVPIESA-N 424.456 6.192 5 1 HKBF Cc1cc(C(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)ccc1[N+](=O)[O-] 3626300 FYVONCJHLUQYAC-UHFFFAOYSA-N 404.470 5.002 5 1 HKBF CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646404 RQIQPGVUHPAWET-UHFFFAOYSA-N 424.400 5.461 5 1 HKBF COc1cc(CN=c2c3ccc(Cl)cc3[nH]c3ccc(OC)cc23)cc(OC)c1 653711599 WKZFNVKOQDBZCL-UHFFFAOYSA-N 408.885 5.101 5 1 HKBF C[N+](C)(C)c1ccc(C(=O)OCCCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1 27076507 JIYPIUQLGYXQNB-UHFFFAOYSA-N 424.521 5.164 5 1 HKBF COc1ccccc1-n1nncc1-c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1857563736 HIFRCJGGLOGYEK-UHFFFAOYSA-N 404.451 5.002 5 1 HKBF O[C@H](c1ccc(Br)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586997006 LDDAPESXPLGBKF-OAQYLSRUSA-N 403.279 5.714 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c12 587077920 ZJRZPUIKXFTGKP-UHFFFAOYSA-N 406.667 5.357 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)c1 587269328 BEKLQVYFKPFZPY-UHFFFAOYSA-N 402.307 5.358 5 1 HKBF CC[C@@H](C)c1ccc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3O)c(C)c2c1 587638210 CPBVXFRSYYLCGU-SNVBAGLBSA-N 403.276 6.033 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3c3ncccc23)N1 587778266 JAYOXSLWLNSPLN-YTEVENLXSA-N 422.301 5.308 5 1 HKBF COc1ccc2oc(-c3cc4ccccc4c4ccccc34)c(CCNC(C)=O)c2n1 653795075 DVLINYDEMGFXFS-UHFFFAOYSA-N 410.473 5.488 5 1 HKBF CCCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1772646230 SMADMNDZGGGIER-UHFFFAOYSA-N 418.453 5.444 5 1 HKBF COc1ccc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCCCC(C)C 95563719 YFNOTUXPZXYFRU-INIZCTEOSA-N 415.490 5.301 5 1 HKBF O=C(c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644168 OPYGVDZRXAATOO-UHFFFAOYSA-N 421.250 5.737 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2ccncc2c2c(Cl)cc(Cl)cc12 32187791 INMSLSIRKJWEFP-QFIPXVFZSA-N 419.396 6.630 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1F 587057143 SMMRBTCWPIGPRH-UHFFFAOYSA-N 422.199 5.756 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 963238141 HVDMYNFGWOIGJF-KBMIEXCESA-N 418.541 5.009 5 1 HKBF COc1cc(CC=C(C)C)c2c(=O)c3c(O)cc(OC)c(CC=C(C)C)c3oc2c1O 14727620 ZAAAUPCCIDWPPI-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF endogenous,in-man O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1 96269767 GZEGBHAXGLPTQY-UHFFFAOYSA-N 424.435 5.211 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)ccc2c2ccc(Cl)cc12 169338433 BFLRQLZZCNGOQA-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF CCCCCOc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160517 UQGGTWKPCZFQFZ-UHFFFAOYSA-N 422.254 5.609 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(OC)cc3[N+](=O)[O-])o1)CC2=O 587473427 URNHRRBJJQYHND-QFIPXVFZSA-N 423.421 5.228 5 1 HKBF CC(C)=CC(=O)NCCc1c2[nH]c3ccccc3c3ccnc(c4ncsc14)c23 13432835 MNFNXENJKFDCLJ-UHFFFAOYSA-N 400.507 5.104 5 1 HKBF biogenic Cc1ccc(C(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])s2)cc1 40938899 PSXIHHPFXNYRCE-UHFFFAOYSA-N 403.463 5.357 5 1 HKBF CC(C)=CCC/C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C/C=C(\C)CO 238782934 CCBSGQLGLZMKTB-DHAHWSCCSA-N 418.665 8.681 5 1 HKBF O=C1c2ccccc2-c2cc(-c3c4ccccc4cc4ccccc34)nc3ccc(O)c1c23 586990326 BIWNQXJAKNRWIO-UHFFFAOYSA-N 423.471 7.125 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3cc3ccccc23)N1 587817700 AAZNASYMMFOQPJ-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587070229 RCIZRTJDQZDEOY-VIFPVBQESA-N 422.666 5.264 5 1 HKBF O=[N+]([O-])c1cncc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 587073509 JYHLDPPPJLLYCC-SFQUDFHCSA-N 404.857 5.693 5 1 HKBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(F)c1 587144557 KYLGXYVHCGBWRL-UHFFFAOYSA-N 405.385 5.259 5 1 HKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533010 SWOVPHJSFHPRRD-XMMPIXPASA-N 419.502 6.083 5 1 HKBF CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356566392 GKMHSJYLRXLVRG-MUUNZHRXSA-N 418.665 8.514 5 1 HKBF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174748 WUHDDLVWUQETCB-UHFFFAOYSA-N 417.494 5.404 5 1 HKBF O=C1CSC2=Nc3c(sc4ccc(Cl)cc34)[C@H](c3cccc([N+](=O)[O-])c3)N12 1857612749 IJGFLHWELHNPFT-INIZCTEOSA-N 415.883 5.129 5 1 HKBF Cc1nc(COc2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cs1 587020742 XQBGGRZJAFSVPB-UHFFFAOYSA-N 421.525 6.880 5 1 HKBF c1coc(CNCc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1 587231931 INOIWIBIIJQNPV-UHFFFAOYSA-N 405.461 5.209 5 1 HKBF CC/N=c1/cc2oc3cc(NCCCO)c4cc5ccccc5cc4c3nc-2cc1C 29059002 PPUWGOFQCNNSMW-MEFGMAGPSA-N 411.505 5.262 5 1 HKBF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2ccc3ccc4ccccc4c3c2)cc1 45196278 PKFISDCWNQVISS-HFJWLAOPSA-N 413.517 5.034 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 104021099 ZBNZXQWEIAUSKX-IQMFZBJNSA-N 417.490 6.285 5 1 HKBF O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 253928457 JCFITQHCTOJUNS-BKKFENPESA-N 424.500 5.654 5 1 HKBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587136621 HTEYLWXPNVDMOW-UHFFFAOYSA-N 416.762 5.227 5 1 HKBF COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587512962 QJNWFGZIJKYCEM-HSZRJFAPSA-N 419.433 5.449 5 1 HKBF COc1ccc(Br)c2c1OCc1c-2nc2cnc3ccccc3c2c1C 1857651542 NTAIETCGTLVKNF-UHFFFAOYSA-N 407.267 5.422 5 1 HKBF Cc1ccc(/C=C/c2onc(C)c2-n2c(C)nc3nc4ccccc4cc3c2=O)cc1 84707234 WJCCDWPZFZLPCF-OUKQBFOZSA-N 408.461 5.018 5 1 HKBF COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1CC=C(C)CCC=C(C)C 2356415416 KQWYNILTPKLFDF-UHFFFAOYSA-N 410.466 5.307 5 1 HKBF CCc1cnc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163469 DABJYYHNQCBYRQ-UHFFFAOYSA-N 409.515 5.482 5 1 HKBF CCN(CC)c1ccc2c(C)c(/C=C/c3cc(C)c([N+](=O)[O-])c(C)c3)c(=O)oc2c1 299819671 BCNVLGLWWGYZQF-CSKARUKUSA-N 406.482 5.643 5 1 HKBF COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3F)nc3c2oc2ccccc23)c1 587360972 SISLYMXHOYHHTF-UHFFFAOYSA-N 414.392 6.371 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587747609 OZPJMMMYZHLDOP-HXPMCKFVSA-N 407.283 5.074 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1[N+](=O)[O-] 587783637 DBCBXPSSIPCLJH-FLIBITNWSA-N 416.393 5.129 5 1 HKBF CCCCCCC(=O)OC[n+]1ccc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c2c1 1625030 VGDBRWLLWNBPPH-UHFFFAOYSA-O 419.545 5.858 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174623 AMQKHRFSFTVOEU-HUUCEWRRSA-N 423.542 5.220 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nc3ccccc3nc12 587585725 HGIQRVIDJLPKEX-GJZUVCINSA-N 420.424 5.192 5 1 HKBF Cc1ccc(C)c(SCc2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccc2F)c1 587645609 FTCGCRUEJVYREI-UHFFFAOYSA-N 406.482 6.791 5 1 HKBF Cc1cc(-c2nnc(-c3ccccc3Cl)o2)c2nc(O)c3ccccc3c(=O)c2c1 1857754405 AJWAOBCMZAJGON-UHFFFAOYSA-N 415.836 5.133 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc3ccc(O)c1c23 586992514 XUMNBAJQCFGAMG-UHFFFAOYSA-N 423.471 7.125 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071003 KTDIIWQIMXZQCR-WDZFZDKYSA-N 405.841 5.874 5 1 HKBF COc1ccc(Cl)c(-c2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2F)c1 587142768 CDSYZQOOTDDPSB-UHFFFAOYSA-N 415.783 5.745 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587270920 XDBRPHSHYGJKLK-UHFFFAOYSA-N 414.181 5.038 5 1 HKBF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163497 RGVQQUUHDSBQSY-KUHUBIRLSA-N 423.542 5.728 5 1 HKBF C[N+](C)(C)c1cccc(-c2ccc3c(-c4cccc(-c5ccccc5)c4)cccc3c2)c1 95598638 RQBUBSQNXGJQTQ-UHFFFAOYSA-N 414.572 8.038 5 1 HKBF CC1(C)C[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc(Cl)cc(-c3cccc(O)c3)c2O1 169328471 YPIVQVHBBKBBPV-NRFANRHFSA-N 409.869 6.314 5 1 HKBF Cc1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] 586998338 JQEDZUPXJMVLEM-CLFYSBASSA-N 424.254 5.972 5 1 HKBF CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1 587644758 MXDSMPPIBKJEER-UHFFFAOYSA-N 420.852 5.896 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)ccc2c2ccc(Cl)cc12 169338432 BFLRQLZZCNGOQA-IERDGZPVSA-N 407.863 6.231 5 1 HKBF CC(C)Sc1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)cc1[N+](=O)[O-] 962705066 JNJWTLSXOWCBOS-NRFANRHFSA-N 414.552 5.898 5 1 HKBF COc1ccc2c(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3[nH]c2c1 1911583253 PQPRMLRFHMWSMY-UHFFFAOYSA-N 401.340 5.381 5 1 HKBF Cc1cc2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2cc1[N+](=O)[O-] 587072752 WEJGXVDHROIGOR-TXZDSMBJSA-N 416.308 6.452 5 1 HKBF FC(F)(F)c1nc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2[nH]1 587120430 IQCTXNLGRFMLKJ-UHFFFAOYSA-N 402.379 6.431 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccc4ccccc4c23)N1 587824866 ZLUGGJJRSMQLFI-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF c1ccc2c(c1)oc1ccc(NCCN3CCCC3)c3cn(CCN4CCCC4)c2c13 40567320 UTHLJPZZHHGSPH-UHFFFAOYSA-N 416.569 5.144 5 1 HKBF COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)OC 95618169 UNTSJRBZLAUZBX-VFXGIBKTSA-N 408.538 5.899 5 1 HKBF endogenous,in-man CC(C)(C)c1ccc2ncc(C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)c(O)c2c1 299841189 YLZVNWUPKRMCND-UHFFFAOYSA-N 421.497 5.696 5 1 HKBF CCN(CC)CCCNc1nccc2c1ccc1c3cc(OC)c(OC)cc3cnc21 49802855 KOVSTNZPUKEBED-UHFFFAOYSA-N 418.541 5.097 5 1 HKBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587047922 CIBZRUZYUBAWHV-UHFFFAOYSA-N 415.884 5.574 5 1 HKBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c3cccnc3c3ncccc3c2[nH]1 587079009 FJRUWLXXMQZZCQ-QGZVFWFLSA-N 412.884 5.037 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc([N+](=O)[O-])ccc4Cl)o1)[C@@H](C2)C3=O 587423170 SYYFXVPXMNKOHA-QKKBWIMNSA-N 411.797 5.006 5 1 HKBF C[C@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510584 LSEHULQMGWOZKR-RUZDIDTESA-N 420.509 5.345 5 1 HKBF CCn1c2nc(-c3ccccc3)nc(=O)c-2c(NCc2ccccc2)c2cc(C)ccc21 40936955 PIONCQBRCTYREH-UHFFFAOYSA-N 420.516 5.504 5 1 HKBF Cc1nc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163815 DLPSCVXZJPZYOQ-UHFFFAOYSA-N 417.494 5.404 5 1 HKBF Cc1nn(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c(C)c1Cl 587065568 SAYNQZOURQQSKQ-UHFFFAOYSA-N 424.895 5.782 5 1 HKBF Fc1ccc(-c2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587146096 ZHPICAKUTWTAIA-UHFFFAOYSA-N 408.411 6.272 5 1 HKBF CCOc1ccc2[nH]c3cc(NC(=O)c4ccc5ccccc5c4)ccc3c(=N)c2c1 1772620225 IROLYWGWWNRZPI-UHFFFAOYSA-N 407.473 5.605 5 1 HKBF O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1 71315841 WNLUSIMLVLXZKS-UHFFFAOYSA-N 424.357 5.087 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337886 BWQBSWVZLDQIPD-MGPUTAFESA-N 408.756 6.519 5 1 HKBF Cc1ccc2c3c(cc(C(C)(C)c4ccc([N+](=O)[O-])cc4)nc13)-c1ccccc1C2=O 587096517 CLFPLGYURODAOR-UHFFFAOYSA-N 408.457 5.989 5 1 HKBF COc1ccc2c(c1[N+](=O)[O-])-c1nc3c(C)ccc4c3c(c1C2)-c1ccccc1C4=O 587098729 UEJNJDIAUJKGRJ-UHFFFAOYSA-N 408.413 5.243 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(Cl)c1 962642966 OVEVSUOFNNZPRW-YKSBVNFPSA-N 419.912 5.085 5 1 HKBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C)N1 962939484 BMRNIETUCJDDKA-GYCJOSAFSA-N 400.482 5.189 5 1 HKBF O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 45358164 JYYWVLPDIZJUSG-UHFFFAOYSA-N 423.812 5.074 5 1 HKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2cccc(OC)c2)c1 587926781 NRTVZGVOAGICHA-INIZCTEOSA-N 410.470 5.288 5 1 HKBF CC[C@@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)c2c1 587642541 MIKMZJRRWHUELL-OAHLLOKOSA-N 410.477 6.800 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587068469 ALYCYDXVSZNXRO-YRHSSUKESA-N 402.281 6.144 5 1 HKBF CC(=O)c1c(Nc2ccc(C(C)(C)C)cc2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 84614676 IFZBLMRPVKNOSY-UHFFFAOYSA-N 413.861 5.746 5 1 HKBF CCCCCCN(CCCCCC)C[C@H](O)c1cccc2c1ccc1ccccc12 169337056 FFSKWFYJWQDQJG-NDEPHWFRSA-N 405.626 7.489 5 1 HKBF Fc1c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c(F)c1S 587134115 IEBLWACMSJKHLU-UHFFFAOYSA-N 400.360 5.171 5 1 HKBF O=c1c2cc3cc(Cl)ccc3nc2ncn1Cc1ccc(Oc2ccccc2)cc1 203467098 QEUALTYWHKUJNN-UHFFFAOYSA-N 413.864 5.439 5 3 HKBF O=[N+]([O-])c1cc2c(O)c(-c3ccc(OCc4ccccc4)cc3)c(O)nc2cc1Cl 36185256 SDABUGPPYLAEKR-UHFFFAOYSA-N 422.824 5.454 5 1 HKBF O=C(Nc1ccccc1)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587244902 RFKRJHIDHSFRJL-UHFFFAOYSA-N 415.456 5.579 5 1 HKBF Cc1cccc(CSc2nc3cc4ccccc4cc3c(=O)n2Cc2ccccc2)c1 1857545005 JSABJFHUYZPPQK-UHFFFAOYSA-N 422.553 6.199 5 1 HKBF C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857616948 PVNDQIPUEMOUNK-JTQLQIEISA-N 402.369 5.120 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2cc(C(F)(F)F)ccc2c2ccccc12 169338922 XDJPVOAYAHQTGG-DEOSSOPVSA-N 417.515 6.947 5 1 HKBF COc1cc2cc(C(=O)CC3=CC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 254004842 RWPNUXJCHLIEDT-SANMLTNESA-N 422.570 5.468 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)c1[N+](=O)[O-] 587267135 FXJXELBGVVTBMA-UHFFFAOYSA-N 403.486 5.297 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ncccc3[N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512900 POBGZHKWKIBNGO-QFIPXVFZSA-N 400.434 5.242 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027378 CSPDRWWZAYJQOB-UHFFFAOYSA-N 401.245 5.024 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 587048394 VOCOPNMNIXGKRQ-RQOWECAXSA-N 418.158 5.847 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1c[nH]c3ccc([N+](=O)[O-])cc13)(C1CC1)CC2=O 587471469 RFLCILLNFZTVTP-QHCPKHFHSA-N 406.438 5.005 5 1 HKBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(-c2ccccc2)cc1 2356823610 FENWZSWHBAUHAB-UHFFFAOYSA-N 409.465 5.605 5 1 HKBF CCOc1cccc(-c2nc3c(s2)CCc2onc(-c4cccc([N+](=O)[O-])c4)c2-3)c1 12726543 YJAGHGPRNQFEQP-UHFFFAOYSA-N 419.462 5.538 5 3 HKBF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc([N+](=O)[O-])c2)CCCC1 13736828 JZKXWBCWCHRJQL-UHFFFAOYSA-N 423.557 6.475 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(OC)ccc12 169332936 WNAWDUPAFPDGIL-VWLOTQADSA-N 413.989 6.591 5 1 HKBF COc1c(CC=C(C)C)c(O)c2c(O)c3c(=O)cc(C)oc3cc2c1CC=C(C)C 13308073 CAUKHRXDWKMVPE-UHFFFAOYSA-N 408.494 5.692 5 1 HKBF biogenic CC(=O)Oc1cc(O)cc2oc3ccc(OCC=C(C)CCC=C(C)C)cc3c(=O)c12 2356762061 WCLSIYZEDUYDKO-UHFFFAOYSA-N 422.477 5.649 5 1 HKBF Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2nc(N)nc(N)c12 5891509 ZXPLJUACCJOOLA-UHFFFAOYSA-N 404.477 5.007 5 1 HKBF C[N+](C)(C)c1cccc(-c2ccc3c(-c4ccc(-c5ccccc5)cc4)cccc3c2)c1 95598641 ZERAMEPQJQKQEV-UHFFFAOYSA-N 414.572 8.038 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1 587135663 LQFDUEBHWKTZEW-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)O2 587377382 HERIAYCUXLYHHU-OAQYLSRUSA-N 424.840 5.638 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c1)O2 587379066 RTKRCJDSZJOWJT-OAQYLSRUSA-N 424.840 5.638 5 1 HKBF CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc([N+](=O)[O-])cc12 40952705 ZIUJNDVSAKRAPY-UHFFFAOYSA-N 421.497 5.355 5 1 HKBF O=C(NCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)Nc1ccccc1 169348175 DSWYQYPOUKRAOZ-UHFFFAOYSA-N 409.493 5.493 5 1 HKBF Clc1cnc(Br)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587005179 AWFNUZJOTOSCLA-UHFFFAOYSA-N 409.674 5.742 5 1 HKBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587159568 RYMZJHBOAYWHSA-UHFFFAOYSA-N 420.425 5.466 5 1 HKBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587167694 QOOCJJJGWUFDOU-QFIPXVFZSA-N 424.479 6.377 5 1 HKBF COc1cccc(-c2cc(F)cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587160126 IJEJYJOZMVHDTF-UHFFFAOYSA-N 418.471 7.351 5 1 HKBF O=c1oc2ccccc2c2nc3ccc(Br)nc3c(-c3ccccc3)c12 1857543932 PMMLEIQORNHLGD-UHFFFAOYSA-N 403.235 5.319 5 1 HKBF Cc1ccc(Sc2c([N+](=O)[O-])c(=O)n(Cc3ccccc3)c3ccccc23)cc1 95771601 BIZSFYWYWMCWHC-UHFFFAOYSA-N 402.475 5.418 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 587068363 STHALRFXWWYQBX-UHFFFAOYSA-N 405.801 5.237 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587071612 LKHNGRYMQNYJLK-GSWOYPRGSA-N 402.281 6.144 5 1 HKBF Cc1ccccc1-c1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587960268 YAJGNDFBSHMUSB-UHFFFAOYSA-N 400.485 6.226 5 1 HKBF COc1ccc(C(=O)CCc2ccc([N+](C)(C)Cc3ccccc3)cc2)cc1OC 13586895 HBGHZHNBJXQJGB-UHFFFAOYSA-N 404.530 5.286 5 1 HKBF O=[N+]([O-])c1cccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)c1 103276132 IFPSMIWBFPNEMM-DARYULOESA-N 417.468 6.186 5 1 HKBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(-n2cccc2)cc1 653700541 XZXSCANGIXGCIH-UHFFFAOYSA-N 401.253 5.399 5 1 HKBF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 963022583 KBPIALVWPAWWCC-HXUWFJFHSA-N 414.914 5.954 5 1 HKBF CC(C=CC=C(C)C1=C[C@@H]2C(C)(C)C[C@H](O)C[C@]2(C)O1)=CC=CC=C(C)C=CCO 2356663343 BNPIIBPBTJTVJW-RELGLDOUSA-N 410.598 5.956 5 1 HKBF CC(C)=CCOc1c(C)cc2oc3ccc4c(c3c(=O)c2c1CO)OC(C)(C)C=C4 13416110 BTDXKHMPKZZMIG-UHFFFAOYSA-N 406.478 5.276 5 1 HKBF biogenic COCCNc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587264717 IDYXJCZOSQHLEF-UHFFFAOYSA-N 420.494 5.348 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)o1 587266145 VVXYKUXUGHUQPV-UHFFFAOYSA-N 405.413 6.705 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2C)c(OC)c1 587929344 NUTFUQSCSACVGY-UHFFFAOYSA-N 403.438 5.439 5 1 HKBF Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)cc2)c2c1nc(O)c1c(O)cccc12 1857600508 HEPJTTUECXQGQQ-HNNXBMFYSA-N 402.494 5.145 5 1 HKBF O=C1SC(=Cc2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1 1857624402 YNCXNVOUFHKLHL-UHFFFAOYSA-N 414.461 5.764 5 1 HKBF O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2c(ccc3ccccc32)o1 72137967 VRJLOLVMRDPKCK-UHFFFAOYSA-N 405.497 6.149 5 3 HKBF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82219920 OXCYRWCOHMZJRN-KUHUBIRLSA-N 423.542 5.728 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Br)ccnc2[nH]1 586969460 SEMDVSAUEOONJV-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587086246 YVIIGBHZTLVNAF-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc([N+](=O)[O-])c1 587135609 JTNMTAGBGIEKLN-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF COc1ccc2c(ccn2CCCCCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1 27073270 DDKILKWITWXGIP-UHFFFAOYSA-N 423.577 5.654 5 1 HKBF CCN(CC)CCCNc1nc2c3cccnc3ccc2c2cc(OC)c(OC)cc12 71282138 OOGXNTJVMKMDJV-UHFFFAOYSA-N 418.541 5.097 5 1 HKBF Cc1cc2nc(-c3ccc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)cc3)[nH]c2cc1C 473134250 GYPGOEMGYQYTOL-UHFFFAOYSA-N 411.421 5.472 5 1 HKBF COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cccc(F)c23)cc([N+](=O)[O-])c1O 587636251 UAUSQKKTWJQTIV-UHFFFAOYSA-N 406.413 5.496 5 1 HKBF O=[N+]([O-])c1ccc2nc3n(Cc4ccccc4)c4ccc(C(F)(F)F)cc4nc-3c2c1 1772572158 QMOGRBOYUFCILX-UHFFFAOYSA-N 422.366 5.665 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)no2)cc1 40918304 UYAQKSWDNHYWFR-UHFFFAOYSA-N 416.477 6.090 5 1 HKBF COc1ccc2cc([C@H](C)C(=O)n3c4ccccc4c(=O)c4ccccc43)ccc2c1 95597197 FLPQQSAIERXZQO-KRWDZBQOSA-N 407.469 5.760 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1nc2ccc(Cl)cc2c2c1c1ccccc1n2C 169309485 LRJSRBAIDKBLCY-QGZVFWFLSA-N 423.004 6.456 5 1 HKBF CC(C)NC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338906 IGIMYMRGPGOJKM-LJQANCHMSA-N 415.377 6.062 5 1 HKBF O=[N+]([O-])c1cncc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998296 ICJTZTYATHCURH-VURMDHGXSA-N 411.215 5.059 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1[N+](=O)[O-] 587062854 BILLCGNRYXQBGJ-UHFFFAOYSA-N 424.800 5.279 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587269980 UQEADELETGHAFU-UHFFFAOYSA-N 414.465 5.317 5 1 HKBF CN1CCN(c2cc(-c3cccc4c3ccc3ccccc34)nc3ccccc23)CC1 27310273 KPPBIQLHGUJQNF-UHFFFAOYSA-N 403.529 5.960 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccccc12 169339596 YWFPVPCELFQUFM-DEOSSOPVSA-N 417.515 6.947 5 1 HKBF Clc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccnc1Br 587007771 RHCFRJGRRQUCSH-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587054574 ORJXHLRAPVTNGP-PLNGDYQASA-N 413.058 5.711 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2)c1 587270951 XXGRFJFMWDFPQL-UHFFFAOYSA-N 400.316 5.099 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 66251284 MDORVHLPLSMXSE-GOSISDBHSA-N 405.376 5.329 5 1 HKBF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C[N+](C)(C)Cc1ccc(I)cc1)C2 95561805 LNRBFZRCZYCYEE-HLIPFELVSA-N 412.379 5.330 5 1 HKBF Cc1ccc([N+](=O)[O-])cc1-c1nc(-c2cnn3ccc(Br)cc23)cs1 103299210 NPLWAYSYIBJAQU-UHFFFAOYSA-N 415.272 5.104 5 1 HKBF COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C 587046918 PFOZSCNZLCWLCF-DAXSKMNVSA-N 401.850 5.338 5 1 HKBF Cc1cc(Cl)cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587054442 KQZGAVFLDCCVCT-MRXNPFEDSA-N 421.284 5.213 5 1 HKBF Cc1nn(-c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c(C)c1Cl 587064368 AHFQYCVHMQSHQR-UHFFFAOYSA-N 402.241 5.247 5 1 HKBF Clc1ccc(-c2nnc(CCc3nc4c5ccccc5c5ccccc5c4[nH]3)o2)cc1 587075619 FSMPXDICQMVDRL-UHFFFAOYSA-N 424.891 6.358 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC3CCCCC3)c([N+](=O)[O-])c1)O2 587409094 GHRSDOFXRPSPSG-HXUWFJFHSA-N 412.511 5.617 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1ccccc1[N+](=O)[O-])CC2=O 587472540 JIVPLZGOKYHSIE-QHCPKHFHSA-N 419.433 5.752 5 1 HKBF O=C(O)c1cccc2c1CCN[C@]2(c1cc2ccccc2c2ccccc12)C(F)(F)F 963130018 HWQJTOYQLVSVAT-XMMPIXPASA-N 421.418 5.643 5 1 HKBF CN(CCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28640891 NDUSIOVFIPORBY-UHFFFAOYSA-N 401.506 5.627 5 1 HKBF in-vivo O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587024808 DBYQGVVZFWQFOD-UHFFFAOYSA-N 400.257 5.629 5 1 HKBF Fc1cc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1-c1ccccc1 587144784 ABELKYWGZLKANP-UHFFFAOYSA-N 402.472 7.266 5 1 HKBF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@@H]2c1ccc([N+](=O)[O-])cc1 962398928 OFZVGRHZDTUXGD-NFBKMPQASA-N 407.539 5.216 5 1 HKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@H]2c3ccc(F)cc3C[C@H]3CCCN23)cc1 963097241 FWWVGRXKLSQXKM-GCJKJVERSA-N 405.429 5.031 5 1 HKBF CCN(CC)CCCNc1ncc(C)c2c1c1ccc3c(OC)cccc3c1n2C 29321779 GFNGIJLZSXDHTO-UHFFFAOYSA-N 404.558 5.341 5 1 HKBF O=C(Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)s1)c1ccccc1 299832923 UQMRTZPLCUQSOD-UHFFFAOYSA-N 418.434 5.158 5 1 HKBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 586879543 SYKPQPJQOXMBRY-UHFFFAOYSA-N 405.841 5.639 5 1 HKBF FC(F)(F)Sc1ccc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587125834 SZAPEISYIIYEKX-YFHOEESVSA-N 422.435 6.442 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1 587135598 JHBIMDYPIOBKTD-UHFFFAOYSA-N 419.309 5.809 5 1 HKBF COc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c([N+](=O)[O-])c1 587511840 SIERZGNTCNGIRM-QHCPKHFHSA-N 419.433 5.449 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc4ccccc4nc23)N1 587780114 YKUAGOHLGLNYTH-XUSGNXJCSA-N 422.301 5.308 5 1 HKBF C[N+](C)(Cc1ccc(I)cc1)CC12CC3CC(CC(C3)C1)C2 95562558 IKWVVQUIXOXILC-UHFFFAOYSA-N 410.363 5.084 5 1 HKBF CCCCOc1cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2cc1Br 587160238 NNQJNIQMQBETMT-UHFFFAOYSA-N 408.227 5.219 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)c1 587270896 WGCMEWZJEATDGD-UHFFFAOYSA-N 418.762 5.872 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587923571 XKJRZBLROFRPQH-UHFFFAOYSA-N 415.449 6.673 5 1 HKBF O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 17189925 UIUFPVZMPHUHCY-UDWIEESQSA-N 418.840 5.053 5 1 HKBF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 28771188 KIGJPKCRBSBFNE-UHFFFAOYSA-N 410.933 5.106 5 1 HKBF CCCCCn1cc(C(=O)c2c3ccccc3cc3ccccc23)c(=O)c2ccccc21 28864848 JPYYYYOTMCQCRB-UHFFFAOYSA-N 419.524 6.729 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586969468 SKPZMCVTDNIIIN-UHFFFAOYSA-N 413.396 6.044 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3cc3ccccc23)N1 587817703 AAZNASYMMFOQPJ-SHACYNPGSA-N 420.325 6.518 5 1 HKBF COc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 587932617 QYIDDNUZHIVPFP-UHFFFAOYSA-N 424.254 5.576 5 1 HKBF Cc1cccc(-c2coc3cc4occ(-c5cccc(C)c5)c(=O)c4c(O)c3c2=O)c1 653905124 AGUBAEVWMKMYSZ-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF O=[N+]([O-])c1cc(-c2csc(Nc3ccccc3)n2)ccc1I 68584027 GYBUAVZDMBOUNO-UHFFFAOYSA-N 423.235 5.067 5 1 HKBF biogenic COc1cc(-c2oc3c(ccc4ccccc43)c(=O)c2O)ccc1OCc1ccccc1 73258055 ZXNLWQKQMCEPGD-UHFFFAOYSA-N 424.452 5.906 5 1 HKBF C[N+](C)(CCC12CC3CC(CC(C3)C1)C2)Cc1ccc(I)cc1 95559463 WBAPGPKYOSCEHH-UHFFFAOYSA-N 424.390 5.474 5 1 HKBF O=[N+]([O-])c1ccc(-c2csc(-c3ccccc3COc3ccc(Cl)cc3)n2)cc1 103198746 IVRWWMFAAQUKHK-UHFFFAOYSA-N 422.893 6.618 5 1 HKBF OCc1ccccc1-c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586895164 RSQQDWHZHBLXRF-UHFFFAOYSA-N 400.481 6.696 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4cc5ccccc5cc4c3)nc3ccc(O)c1c23 586991754 QBIQXEBQDFAPLC-UHFFFAOYSA-N 423.471 7.125 5 1 HKBF O=C(c1cc(Cl)c(Cl)c(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280266 QLNHUNQKQGGGJT-UHFFFAOYSA-N 405.020 6.186 5 1 HKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@H](c4ccccc4F)C3)cc2c1 1857752285 BJAIYWQZIILQTR-QHCPKHFHSA-N 418.449 6.838 5 1 HKBF Cc1cc(Cl)cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587054441 KQZGAVFLDCCVCT-INIZCTEOSA-N 421.284 5.213 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071813 RYXVDDGRJDDJQB-FMIVXFBMSA-N 405.841 5.874 5 1 HKBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587112277 FRCLHKUGOVANTF-HNNXBMFYSA-N 404.435 7.234 5 1 HKBF CC(C)(C)OC(=O)N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)(C)C 587206649 XLJVQXREOIYQII-MRXNPFEDSA-N 419.529 5.141 5 1 HKBF FC(F)(F)c1ccc2ncc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2c1 587111885 ILTBSKPZGHRMFS-UHFFFAOYSA-N 415.378 5.893 5 1 HKBF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587191060 KLQSFGYOGNJNRW-QGZVFWFLSA-N 416.865 5.081 5 1 HKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1F 587139839 PGXSANGTOCBXMN-UHFFFAOYSA-N 410.110 5.483 5 1 HKBF CC(C)=CCCC(C)=CCCC(C)=CCC(=O)NC[C@@H]1CC[N@@+]2(C)CCCC[C@@H]12 2356314550 UMAWGIQJLCNKLK-PNIUZAESSA-O 401.659 5.931 5 1 HKBF CC(C)(c1ccc([N+](=O)[O-])cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987283 MNZBIDCKSNFOCP-UHFFFAOYSA-N 410.429 5.386 5 1 HKBF Cc1ccc2c3c(c4c(nc13)[C@@H](Cc1ccccc1[N+](=O)[O-])CC4)-c1ccccc1C2=O 587097022 GPXQFGZSIFTUPN-QGZVFWFLSA-N 420.468 5.935 5 1 HKBF COc1cc(O)cc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c1 587931464 JHBWEBKRRPKPBZ-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 963221655 ARKBTJHYBZGASI-BXKMTCNYSA-N 406.551 6.243 5 1 HKBF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587033795 BCWDPNHQWRTPMN-AWEZNQCLSA-N 408.483 5.265 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511793 ITJNKPPTAFJGFS-HSZRJFAPSA-N 403.434 5.749 5 1 HKBF O=[N+]([O-])c1ccc(-c2ccc([C@H]3CC(c4cc(F)c(Cl)cc4Cl)=NN3)o2)cc1 6018841 PRSRMBIOUHWFMP-QGZVFWFLSA-N 420.227 5.739 5 1 HKBF COc1ccc2c(c1)c1c3cc(NCCN4CCCCC4)ccc3cc(C)c1n2C 26184990 UHVGEFVIZRRCPD-UHFFFAOYSA-N 401.554 5.700 5 1 HKBF CCN(CC)CCCCSc1c2ccc(Cl)cc2nc2ccc(OC)cc12 13557625 RIQDQOLVJKPUKG-UHFFFAOYSA-N 402.991 6.264 5 1 HKBF Nc1cc(Oc2cccc(NCc3cccc(OC(F)(F)F)c3)c2)ccc1[N+](=O)[O-] 84707218 GMASLAKGSYTXBS-UHFFFAOYSA-N 419.359 5.480 5 1 HKBF OCc1ccccc1-c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586894703 BNNINBNIKMCAKO-UHFFFAOYSA-N 402.457 5.486 5 1 HKBF Cc1cc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2cc1[N+](=O)[O-] 587141579 VNKPBDDTXQJTKI-UHFFFAOYSA-N 411.433 6.017 5 1 HKBF Cc1ccc(NC2(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CCCC2)cc1 587237299 RDUOUKROWOFPIU-UHFFFAOYSA-N 415.291 5.423 5 1 HKBF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356875840 YVTJJNCBOYPJBN-ZVDOUQERSA-N 412.534 5.040 5 1 HKBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587070989 KPWJBZDPFNCCNR-RMKNXTFCSA-N 406.829 5.269 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587269086 KMPXRFORFKMFDB-UHFFFAOYSA-N 408.405 5.350 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434657 XXDHLSBDRLAUQM-UUOWRZLLSA-N 417.417 5.193 5 1 HKBF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587644835 CULXQOUHVKMQKP-UHFFFAOYSA-N 400.259 5.090 5 1 HKBF CC(C)(C)OC(=O)N[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCCC1 587226080 OOZQSOUJMGXTLC-KRWDZBQOSA-N 417.513 5.415 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)cc1 587272016 NEGKNLBDWJZAEG-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF O=[N+]([O-])c1ccccc1-c1c(C2CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628483 UCEZIZTXHOZBDR-UHFFFAOYSA-N 414.305 6.658 5 1 HKBF O=C(c1ccc(C(F)(F)F)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646388 RBGJFQPCWOAPDG-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF CCN1CCC[C@@H]1CNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857552841 JINDXPZEGUYFQQ-MRXNPFEDSA-N 410.521 5.170 5 1 HKBF O=[N+]([O-])c1ccc(CN(Cc2c[nH]cn2)c2ccc(Oc3ccccc3)cc2)cc1 26986635 REDGBAMWXJLKLJ-UHFFFAOYSA-N 400.438 5.317 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])ccc3Cl)nc3ccc(O)c1c23 586986779 UXAGNKKRNANKSO-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF Cc1cc(Br)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587109297 GXBYNWMYTOYDTR-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(O)n(CC[C@H](c3ccc(F)cc3)c3ccco3)c2O)cc1 587946795 XVKBESZYAXXHJG-LJQANCHMSA-N 422.412 5.429 5 1 HKBF CCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)cc(Cl)cc3[nH]c2c1 1857566232 RGYKNTIRCGBSCG-UHFFFAOYSA-N 407.341 5.489 5 1 HKBF COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c4c(cc3oc12)OC(C)(C)C=C4 14679154 IPRFEPIGHJONEO-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF biogenic c1ccc(CNc2ncccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587229135 ACPPACAOLKTGHD-UHFFFAOYSA-N 402.461 5.333 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587471783 UYGWQAFIHNYWHH-HSZRJFAPSA-N 419.433 5.752 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c(Cl)cccc2nc2[nH]c3ccccc3c12 40943526 OSLYGNSQYSNCJK-INIZCTEOSA-N 408.977 6.445 5 1 HKBF Cc1ccc(OCc2ccccc2-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 103198743 WWVXAMSLOBKPMW-UHFFFAOYSA-N 402.475 6.273 5 1 HKBF CCCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2[N+](=O)[O-])c1 653739000 ICRWYBVAQXMORK-OAHLLOKOSA-N 414.458 5.119 5 1 HKBF COc1ccc(C2=Cc3ccc(OC)cc3[C@H](C[N+](=O)[O-])N2c2ccccc2)cc1 653801350 UENAYHAFSABETL-DEOSSOPVSA-N 402.450 5.040 5 1 HKBF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587120885 ITROVQDBCFQFGJ-UHFFFAOYSA-N 420.316 6.297 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750099 GKYOCOSAVRWLQA-JEOXALJRSA-N 415.262 5.273 5 1 HKBF COc1ccc([C@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587937227 ORZBELCBBITSFA-SANMLTNESA-N 414.508 7.058 5 1 HKBF CC[C@]1(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)CC(=O)c2ccccc2C1 587961501 RQGTYIYETGMJCC-MUUNZHRXSA-N 404.513 6.637 5 1 HKBF COC(=O)c1c(SC)cc(-c2ccc(Cl)cc2)cc1-c1cccc([N+](=O)[O-])c1 1896416 QDOYKTBVEFSPEH-UHFFFAOYSA-N 413.882 6.091 5 1 HKBF Cn1c2nc3ccccc3c-2c(NCCc2c[nH]c3ccccc23)c2cc(Cl)ccc21 102994613 AGDRYDXNULGQSI-UHFFFAOYSA-N 424.935 6.621 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586998535 MBHWVFARIQDZDM-PKNBQFBNSA-N 410.227 5.664 5 1 HKBF Cc1cc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1[N+](=O)[O-] 587159653 RXRJWJDBMXPLPU-HXUWFJFHSA-N 411.820 5.740 5 1 HKBF COc1cccc(-c2cc(-c3cc(N)ccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587361829 AEYRVLHMFZGDDA-UHFFFAOYSA-N 411.417 5.814 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)O2 587408890 DXYJAFCRLAKCFO-HXUWFJFHSA-N 406.463 5.343 5 1 HKBF COc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627517 ADLWTJBTLZISIX-UHFFFAOYSA-N 404.266 5.789 5 1 HKBF CC[C@]1(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)CC(=O)c2ccccc2C1 587961755 TZNOCGFZHHFLBI-AREMUKBSSA-N 406.489 5.427 5 1 HKBF CC[N+](C)(CC)CCSc1nc2ccccc2c(=S)n1-c1ccc(OC)cc1 5610965 RLVHJXGXTMHJBI-UHFFFAOYSA-N 414.620 5.342 5 1 HKBF Nc1c2c(nc3c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc4ccccc14)O3)CCCC2 71330001 ZAYJCQAUIAWUDR-JOCHJYFZSA-N 423.472 5.890 5 1 HKBF Cc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1 587644641 JKSDGFFDAPODHT-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF O=C(O)CCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587957824 WNHOOMJQUQOARY-UHFFFAOYSA-N 420.466 5.298 5 1 HKBF N[C@@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586983610 GADXONIRXQYRBW-FQEVSTJZSA-N 416.322 5.874 5 1 HKBF Cc1ccc2c3c(cc(-c4cc(F)cc([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O 586995716 NOQQUMMRMNNYAN-UHFFFAOYSA-N 400.365 5.175 5 1 HKBF CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 775467 MRLDUSMPMKDUKX-UHFFFAOYSA-N 417.824 5.095 5 1 HKBF O=[N+]([O-])c1ccc(-c2scc3c2CCOC32CCN(Cc3ccccc3)CC2)cc1 95553072 CBLJDEYDWYIDTM-UHFFFAOYSA-N 420.534 5.387 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2ccc(Cl)cc12 169339001 SHSBMQHKNMIIIG-FOIQADDNSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cc1 587272547 NXUNOHRAKGOYFF-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF C(=C\c1ccccc1Oc1ccccc1)\c1nc2c3ccccc3c3ccccc3c2[nH]1 587950096 PIIWJWDOBSFZMF-HNENSFHCSA-N 412.492 7.832 5 1 HKBF O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc(Cl)c(Cl)c(Cl)c1 71342041 VVBLTHNPQQVKDZ-UHFFFAOYSA-N 402.664 5.464 5 1 HKBF O=C1c2ccc(O)cc2O[C@]2(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587337617 BTLSLLLLPAXKEQ-VWNXMTODSA-N 419.408 5.030 5 1 HKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])ccc3F)nc3c2oc2ccccc23)c1 587361077 VTZNPMKXQXAHFW-UHFFFAOYSA-N 414.392 6.371 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3OC)o1)CC2=O 587473668 YXYISBWXKRZHEB-QFIPXVFZSA-N 423.421 5.228 5 1 HKBF O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645684 HUMLCZUSEVQKQD-IBGZPJMESA-N 424.815 5.752 5 1 HKBF O=C(c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587646341 OWXBXGQLXSGOJC-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF c1ccc(Oc2ccccc2Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587949636 JNBCLYBRXXGXKD-UHFFFAOYSA-N 400.481 7.252 5 1 HKBF O=[N+]([O-])c1c[nH]c(-c2nnc(-c3cc(-c4ccccc4)nc4ccc(Cl)cc34)o2)c1 103281419 JIZSYUAKBIKRJX-UHFFFAOYSA-N 417.812 5.509 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccc(C(F)(F)F)cc12 169339461 APMUIAUUVSIJRU-IERDGZPVSA-N 407.863 6.231 5 1 HKBF CCCCCc1nc(-c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163974 AEYQWTNIDKIFIY-UHFFFAOYSA-N 409.490 5.204 5 1 HKBF Clc1cccc(-n2cc(Cn3c4ccccc4c4nc5ccccc5nc43)nn2)c1 98084909 GARJOKNDQZVPJV-UHFFFAOYSA-N 410.868 5.020 5 1 HKBF Nc1nccc(-c2cn(Cc3c4ccccc4cc4ccccc34)c3ccccc23)n1 103297232 VDUULQROOQOUIH-UHFFFAOYSA-N 400.485 6.035 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)cc1 104020963 BFZRRHJMIKJCII-CMJOXMDJSA-N 417.490 6.285 5 1 HKBF CCc1ccc(-c2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)cc1 587015373 BKQCTMABCVWLLZ-UHFFFAOYSA-N 407.502 6.012 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl 587048483 WHQFAUJDBZKSBE-RQOWECAXSA-N 413.058 5.711 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccccc2c2ncccc12 587587979 QVRDNDYBUAPKJW-LVXARBLLSA-N 420.424 5.192 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3cccc(C(F)(F)F)c3)c2c1 1857636377 JORVCCAKFHFXAP-UHFFFAOYSA-N 410.355 5.389 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(C)(C)C)c2[nH]1 587264772 SQFWDGNTDVFNEJ-ZDUSSCGKSA-N 411.458 5.120 5 1 HKBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c12 45368317 PATZGIQBOIKCNK-CVEARBPZSA-N 422.527 5.088 5 1 HKBF C[N@@+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 254216449 JDISIZOQMXKSRK-FDDCHVKYSA-N 400.365 5.676 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)Oc2c1ccc1c2CCCC1 587513471 UGRSGOCHOQOJLC-QHCPKHFHSA-N 400.434 5.242 5 1 HKBF O=[N+]([O-])c1ccccc1NC1=C[C@]2(CCC1)NCCc1cccc(-c3ccccc3)c12 962667758 MUWNWWYFIBCMSK-SANMLTNESA-N 411.505 5.783 5 1 HKBF C/C=C/[C@H](CCC)N(C(=O)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1857610672 YUNQWOOMTDDWJV-BYVAAYKLSA-N 422.510 5.505 5 1 HKBF CCc1cnc(-c2cnc(NCC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163526 OMNNAAQALDZIMP-UHFFFAOYSA-N 423.542 5.730 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338491 YHDRAPBDBZZFDE-LHSJRXKWSA-N 408.756 6.519 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SCc3ccccc3)c([N+](=O)[O-])c1)O2 587409209 KWAJDIYQBOZJPN-OAQYLSRUSA-N 420.490 5.484 5 1 HKBF O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644657 JYDCVSWGINCCMC-GOSISDBHSA-N 406.825 5.613 5 1 HKBF O=[N+]([O-])c1cccc(CNCC2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c1 45187939 PJAWVCUPWBMEMO-UHFFFAOYSA-N 415.537 5.264 5 1 HKBF Cc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174361 YYECXNDSMJZGBI-UHFFFAOYSA-N 421.844 5.281 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1 587135592 IXOZRNGAVFKFCM-UHFFFAOYSA-N 415.346 6.271 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587268973 FYKIMFSKLLOKKT-UHFFFAOYSA-N 400.438 5.531 5 1 HKBF C[C@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)NCCc2c(Cl)cc(Cl)cc21 963112456 POCWQUVBPANZOA-FQEVSTJZSA-N 419.333 6.039 5 1 HKBF Cc1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879180 LKDQEKKPKLWQPI-UHFFFAOYSA-N 407.813 5.465 5 1 HKBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)s1 587023114 KPNWUKMPMYZOQN-UHFFFAOYSA-N 416.506 6.340 5 1 HKBF COc1ccc(-c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1 587934834 GCTUIUILVSIWLF-UHFFFAOYSA-N 400.481 7.212 5 1 HKBF CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccccc2[N+](=O)[O-])CCCC1 13736827 IVRSWIBLDMJGFQ-UHFFFAOYSA-N 423.557 6.475 5 1 HKBF COc1ccc2c(ccn2CCCCCCOC(=O)c2ccc([N+](C)(C)C)cc2)c1 26995648 MAJUPQNDLAIHJS-UHFFFAOYSA-N 409.550 5.264 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82219927 DQEDKFYOYKTBOB-BFUOFWGJSA-N 423.542 5.783 5 1 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587072521 RMNWXTWFBLOILY-DOBXZICZSA-N 403.269 5.539 5 1 HKBF O=C(c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587646553 UQDLKBKRRRDZQM-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751296 LYIOFHMTBCFELK-OVWNDWIMSA-N 419.250 5.040 5 1 HKBF COc1ccc(C(=O)c2c(-c3ccc(OC)cc3[N+](=O)[O-])sc3ccccc23)cc1 35796571 FEKXCUUPYWDQIR-UHFFFAOYSA-N 419.458 5.725 5 1 HKBF C[N+](C)(CCCN1c2ccccc2Sc2ccccc21)Cc1ccc(Cl)cc1 40592472 HKELWZNXKOTJMW-UHFFFAOYSA-N 410.006 6.609 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C 84712288 ADXRPHWEPZSVMV-QGZVFWFLSA-N 423.004 6.456 5 1 HKBF CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/CO)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 238770093 GMQZSQMIENYQEB-SSTKNVDBSA-N 410.598 5.751 5 1 HKBF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c21 587031711 AFUXQVHZDLWKNA-NSHDSACASA-N 423.454 5.338 5 1 HKBF Cc1cc(Br)cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587274134 ZBOBIPRUSDHGRT-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)O2 587410665 VKCKAUSGQAVGTJ-LJQANCHMSA-N 410.451 5.077 5 1 HKBF CCCCCc1nc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174405 UKHRCRVWDBNSMJ-UHFFFAOYSA-N 421.501 5.348 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc([N+](=O)[O-])ccc3OC)o1)CC2=O 587473675 ZGGFYFAGNZAJSB-JOCHJYFZSA-N 423.421 5.228 5 1 HKBF C[C@]1(CSc2ccccc2[N+](=O)[O-])c2ccsc2CCN1Cc1cccnc1 962996358 JEOHSUHJKNYUDH-NRFANRHFSA-N 411.552 5.117 5 1 HKBF O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc3ccccc3c2)s1 84687510 SPMJBMQFKPZXIY-UHFFFAOYSA-N 422.937 6.665 5 1 HKBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CC(C)C)CC3 95578185 LXBIOPATTQQFAK-UHFFFAOYSA-N 409.526 5.042 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=Nc3ccccc3)c2c1 1857632979 ZFBOKNPZRRHAGS-UHFFFAOYSA-N 410.355 5.389 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587428338 MKFLGRGGGHVSNT-SBUREZEXSA-N 421.380 5.024 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587478055 AUOWVELPIOQSJT-GDLZYMKVSA-N 420.508 7.123 5 1 HKBF CN(Cc1ccccc1)Cc1ccc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 28710697 YOADEHMCUGVQME-UHFFFAOYSA-N 400.434 5.000 5 1 HKBF CCCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95575929 IAEYKAOLSQXRRS-UHFFFAOYSA-N 409.526 5.186 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586968261 ARJLUCLRUOEUJE-UHFFFAOYSA-N 407.398 5.208 5 1 HKBF CC(C)CCOc1ccc(Br)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586981334 IFSCRCVPFJCUOR-UHFFFAOYSA-N 422.254 5.465 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587051591 YZXSUYZQDWVJPU-UHFFFAOYSA-N 417.650 5.345 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587056239 KXOSRELGDHMMKJ-UHFFFAOYSA-N 404.209 5.617 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)cc2)cc1 587272180 PAAZJFNLAYMELX-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOc3ccccc3)(CC1)CC2 42891359 CQMKTPYEYLQOTQ-UHFFFAOYSA-N 414.569 5.002 5 1 HKBF COc1ccccc1-c1nnc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)o1 1857581405 LWYQAHVWDIZJMI-UHFFFAOYSA-N 405.435 5.472 5 1 HKBF Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccccc4)c3c2)cc1 38802112 HSWLATQUKDEQDB-UHFFFAOYSA-O 405.525 5.916 5 1 HKBF in-vitro O=[N+]([O-])c1cncc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587070992 KPWJBZDPFNCCNR-TWGQIWQCSA-N 406.829 5.269 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1c([N+](=O)[O-])ccc(Br)c1C)CC2=O 587455387 BFNFXKWYDGCHLL-KRWDZBQOSA-N 420.259 5.030 5 1 HKBF CC(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] 587577876 UJNZRKWUPFVUOO-NFBKMPQASA-N 405.406 5.127 5 1 HKBF Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 587645201 YZUINSIYPDJBSP-LJQANCHMSA-N 420.852 5.921 5 1 HKBF CCCCCCN(CCCCCC)C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 169325578 RRXVOXIGMCGZMI-UHFFFAOYSA-N 402.491 5.304 5 1 HKBF O=[N+]([O-])c1ccc(/C=C2\C=C([C@H](O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 17380753 WOSWZZDCBFFXRQ-GNBRFLJNSA-N 400.390 5.174 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)o1 587264246 DRADQFQLWPKVFQ-UHFFFAOYSA-N 423.734 5.950 5 1 HKBF O=C1C[C@H](c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587503911 HJXQXNFLHCRZSX-JOCHJYFZSA-N 422.868 5.624 5 1 HKBF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)s1)N(C)[C@@H](C)C2 962571881 PEIJZEHAZYBHTJ-PSLXWICFSA-N 424.522 5.306 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl 587048278 RTUIEBMPLJRNHJ-RQOWECAXSA-N 413.058 5.711 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)ccc2c2ccc(Cl)cc12 169338428 BFLRQLZZCNGOQA-KKSFZXQISA-N 407.863 6.231 5 1 HKBF Cc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br 587269393 BWELEDCNVBAOLA-UHFFFAOYSA-N 409.243 5.271 5 1 HKBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1ccc2ccccc2c1 1857564280 AHDIDBJAIJEMNR-UHFFFAOYSA-N 400.459 5.048 5 1 HKBF O=[N+]([O-])c1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1 3815192 WETDBUJWZMYYBC-UHFFFAOYSA-N 401.245 5.259 5 1 HKBF O=C1CCCN1c1cc(-c2cc3ccccc3c3ccccc23)nc2ccc(Cl)cc12 95580474 IRKRMSWKKZCZNM-UHFFFAOYSA-N 422.915 6.988 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4cccs4)CC(O)=C32)c1 104021106 ZBNZXQWEIAUSKX-CMJOXMDJSA-N 417.490 6.285 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13682756 KXFQYDZSNLZDTN-FQEVSTJZSA-N 413.886 5.720 5 3 HKBF Clc1nccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Br 586979079 FZNACWRCQKHDLW-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF CC1=C[C@H](CN2CCCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 2356837466 DQJXTJPEMBLODS-TUNNFDKTSA-N 424.545 5.138 5 1 HKBF CC[C@H]1CCCN1CN1C(=O)c2cccc3c2c(cc2c4ccccc4sc32)C1=O 40897113 ADKZETJMQRZCBI-HNNXBMFYSA-N 414.530 5.636 5 1 HKBF Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc6[nH]ccc6c5)cc4c32)ccc1F 71318743 UVQOCDJZJCSAEV-UHFFFAOYSA-N 420.447 5.530 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2cc2ccccc12 587604392 WFFADEYCGAFNED-LEAFIULHSA-N 418.448 6.402 5 1 HKBF O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587643404 DYXMEKQDSRNWGG-UHFFFAOYSA-N 421.250 5.737 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3nc4ccccc4o3)c(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587646409 RXESSWSYAFPYBP-UHFFFAOYSA-N 423.350 6.570 5 1 HKBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586962442 FBBRVEFDMLHQKY-SFHVURJKSA-N 400.507 5.917 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc4ccccc4c4ccccc34)nc3cccc1c23 587208530 XNQNOUSKQVIHNN-UHFFFAOYSA-N 407.472 7.420 5 1 HKBF CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356566393 GKMHSJYLRXLVRG-NDEPHWFRSA-N 418.665 8.514 5 1 HKBF O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCN2CC[C@H]3CCCC[C@@H]3C2)cc1 40410594 PQZJCZJMUZVPSP-RTBURBONSA-N 423.513 5.091 5 1 HKBF CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])s1)Cc1cccc2ccccc12 84709708 YRWGZDQYXUFMBF-UHFFFAOYSA-N 412.511 5.153 5 1 HKBF O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103996714 WQGKESVMUDEIBW-NSYGIPOTSA-N 411.461 6.224 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] 587268059 WDZQDLDTMZXQBF-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749419 XXCJDFWQZNJPJL-WAYUKZSUSA-N 405.267 5.175 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 963234298 VEBKIYUQNGTVQI-IQGLISFBSA-N 420.940 6.197 5 1 HKBF COc1ccccc1-c1cccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)n1 23454547 FBOZZZBRGHHINV-UHFFFAOYSA-N 415.405 5.178 5 1 HKBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)s1 587023932 XFGIJFVWYHPZON-UHFFFAOYSA-N 418.482 5.130 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc([N+](=O)[O-])c1 587136117 VTVWRBYJYFDAAJ-UHFFFAOYSA-N 416.239 6.559 5 1 HKBF COc1cc(Cc2[nH]c3cccc(F)c3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O 587635392 GYHSPDKWXMXFFJ-UHFFFAOYSA-N 406.413 5.496 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746364 JQVLHIVXDSQJKU-JAAFHXJTSA-N 405.267 5.175 5 1 HKBF O=C1c2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(F)cc1F 653831384 JKAPQQXLFIBVSQ-UHFFFAOYSA-N 402.740 5.611 5 1 HKBF O=c1c2ccccc2oc2c1c(O)cc1oc(-c3ccc(Br)cc3)nc12 1857637190 MEOUQDUVNTYQJY-UHFFFAOYSA-N 408.207 5.223 5 1 HKBF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13661891 JCFITQHCTOJUNS-ZJSPYRCASA-N 424.500 5.654 5 3 HKBF O=[N+]([O-])c1cc2cc(-c3ccccc3)c(N3CCCCC3)nc2nc1N1CCCCC1 32063627 HLSUBFMQDKNUOA-UHFFFAOYSA-N 417.513 5.186 5 1 HKBF O=[N+]([O-])c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Cl 587040556 HZDVTUOVVWUVPN-UHFFFAOYSA-N 407.904 5.182 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2cc1F 587113395 IVTQCURFCWGSBX-UHFFFAOYSA-N 417.318 6.088 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1F 587141462 UEXRICAMCUGNKL-UHFFFAOYSA-N 415.396 5.848 5 1 HKBF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)c(C)c1Cl 587645136 XARDAIMZIFUIAR-UHFFFAOYSA-N 415.280 5.912 5 1 HKBF O=C(O)c1cc(-c2nc(-c3ccccn3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204974143 NNNCNEANGFACKT-UHFFFAOYSA-N 403.419 5.146 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)O2 587390510 QUKXTLDSAPCMTB-VWLOTQADSA-N 416.477 5.369 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1c3ccccc3c(Cl)c3ccccc13)CC2=O 587462932 RMZVGTYYRKQUAZ-QHCPKHFHSA-N 416.904 7.011 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)ccc12 169338493 YHDRAPBDBZZFDE-SZNDQCEHSA-N 408.756 6.519 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(Cl)c1 962642963 OVEVSUOFNNZPRW-RDPSFJRHSA-N 419.912 5.085 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(F)c2[nH]1 586969712 WHAUFMDRZBRAPZ-UHFFFAOYSA-N 424.295 5.788 5 1 HKBF Ic1cncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587184225 FWJAOVOGFCSTAE-UHFFFAOYSA-N 421.241 5.536 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2cc2ccccc12 587604394 WFFADEYCGAFNED-NAKRPHOHSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cncc(Cl)c2)cc1NC1CCCCCCC1 15936801 IEXCUFMFDXXMAR-UHFFFAOYSA-N 420.853 5.869 5 3 HKBF Cc1cc(-c2cccc([N+](=O)[O-])c2)c2ncc(CSCCc3ccccc3)n2c1 28877429 VRQFPGYYZZYAEE-UHFFFAOYSA-N 403.507 5.694 5 1 HKBF Cc1cc(Cl)ccc1OCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587066899 UFZKRMCOKNHGHH-UHFFFAOYSA-N 424.682 5.207 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)O2 587384348 KOOKXFXGHNSOCN-NRFANRHFSA-N 408.385 5.123 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2c2ccccc12 587603649 QKQBUJOMPAVZIS-LSYYVWMOSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1Br 962701884 FEFIYJJGDXXFRB-SFHVURJKSA-N 419.300 5.160 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163482 IKTKUSWOMKSMPS-ORAYPTAESA-N 407.474 5.314 5 1 HKBF Clc1nc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1-c1ccccc1 587083589 BFHKXNSDJLOEPV-UHFFFAOYSA-N 405.888 7.252 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1Sc1ccccc1)O2 587409145 GVBNHHUQZRACQV-FQEVSTJZSA-N 406.463 5.343 5 1 HKBF CCC(C)(C)c1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587565099 WBAPEYFNZFKNJI-UHFFFAOYSA-N 418.291 5.500 5 1 HKBF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(Cl)cc1[N+](=O)[O-] 587621653 GOTTVONMZPSQBW-UHFFFAOYSA-N 405.639 5.344 5 1 HKBF Cc1c2ccnc(NCCN(C)C)c2cc2c1[nH]c1ccc(OCc3ccccc3)cc12 6069489 GLBCTMPFHIVQAK-UHFFFAOYSA-N 424.548 5.730 5 1 HKBF CC(=O)O[C@H]1C(=O)N(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccccc1 29313494 ILKQFKSUSNMSPX-IZZNHLLZSA-N 405.453 5.604 5 1 HKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1F 587139585 KRFLNKQUMGSFIA-UHFFFAOYSA-N 405.010 5.347 5 1 HKBF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N(C)[C@@H](C)C2 962629711 PUDLHDBIKGLCGK-FYSMJZIKSA-N 418.493 5.245 5 1 HKBF Cc1ccc(CSCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 586971529 YUNRGBFTKGGGDQ-UHFFFAOYSA-N 406.305 5.018 5 1 HKBF Brc1c[nH]c2nccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c12 587003563 MJQDSNDXVABKQJ-UHFFFAOYSA-N 413.278 6.175 5 1 HKBF O=C1C[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)Oc2c1ccc1c2CCCC1 587502778 FDOMFYLVIHFBKL-JOCHJYFZSA-N 423.852 6.094 5 1 HKBF C[n+]1c2ccccc2c(Nc2ccc(N3CCCCC3)cc2)c2[nH]c3ccccc3c21 64541160 JRUYCWGZQCKPDM-UHFFFAOYSA-O 407.541 6.033 5 1 HKBF O=C(O)c1ccc2c(c1)nc(Nc1ccc(Oc3ccccc3)cc1)c1ccncc12 66113456 ABSTXYYZSHRIPC-UHFFFAOYSA-N 407.429 6.017 5 1 HKBF Cc1cc(Br)cc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587271869 KDRVEIXVANHKLQ-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF O=C1C[C@H](c2cccc(-c3cccc([N+](=O)[O-])c3)n2)Oc2c1ccc1c2CCCC1 587511876 KBIMLYGWCJLBCJ-HSZRJFAPSA-N 400.434 5.242 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)c1 587270318 LXUOBZPTYHHXQO-UHFFFAOYSA-N 402.307 5.358 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Cl 587048053 PLFUYOIHZRTNRJ-ZRDIBKRKSA-N 405.841 5.874 5 1 HKBF Cc1ccc(-c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c3cccc(Cl)c3n2)o1 587083257 LCPFIMKGDNCADP-UHFFFAOYSA-N 405.801 5.303 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1 587273289 RGTCEPVIGXTDOV-UHFFFAOYSA-N 417.318 6.088 5 1 HKBF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3cc([N+](=O)[O-])ccc23)c1 587645854 MMIJXURCIFETCJ-UHFFFAOYSA-N 406.482 6.574 5 1 HKBF C[C@H](c1ccc(-c2c(O)cc(Cl)c3nc(O)c4c(O)cccc4c23)cc1)N(C)C 1857617969 YKFJBOIRINHSJC-GFCCVEGCSA-N 408.885 5.448 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1 95592017 COVMBZWDQXUVLQ-DTHNYOTBSA-N 415.537 6.841 5 1 HKBF Cc1cc2c(cc1Sc1ccccc1)[n+](=O)c1cc(Cl)c(Cl)cc1n2O 140231570 JPVXHIHUZGVXOZ-UHFFFAOYSA-N 404.298 5.713 5 1 HKBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587163316 OMBUJOIHUCYTDL-UHFFFAOYSA-N 418.431 5.696 5 1 HKBF O=C1N[C@@H](O)c2c1c1c3cc(CC=C4CCCC4)ccc3[nH]c1c1[nH]c3ccccc3c21 1857572945 DANHQWIOQPTARR-SANMLTNESA-N 421.500 5.733 5 1 HKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1 95920837 XLSPYLMTRXPYKY-UHFFFAOYSA-N 406.445 5.072 5 1 HKBF in-vitro Fc1cc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1-c1ccccc1 587145728 QJDIUMBZRRAKJH-UHFFFAOYSA-N 404.448 6.056 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2)cc1 587271702 GBUFCSKISFVACU-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Oc1ccccc1[N+](=O)[O-] 587628721 YFOXPJIKAVMISX-UHFFFAOYSA-N 404.266 6.214 5 1 HKBF O=[N+]([O-])c1cccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c3ncccc3n2)c1 1857643917 LHPUNLIPSUJRPL-UHFFFAOYSA-N 403.441 6.539 5 1 HKBF Fc1cc(F)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1Br 587136640 UDOHRIQZUHZJKJ-UHFFFAOYSA-N 411.209 5.367 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)O2 587391799 ZDRHDDJYQHVWJN-HSZRJFAPSA-N 404.422 5.158 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 29337622 GYPXWNCFOYKYOY-LJQANCHMSA-N 406.269 5.213 5 1 HKBF O=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cc([N+](=O)[O-])ccc1Cl 95581054 PGZRLXMOXZXDMY-UHFFFAOYSA-N 411.776 5.448 5 1 HKBF COCCOc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587264229 DXGOLVFIOPQDPL-UHFFFAOYSA-N 421.478 5.315 5 1 HKBF COc1ccc2c(ccn2CCCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 27077188 VJYXIFNFQHAVGA-UHFFFAOYSA-N 409.550 5.264 5 1 HKBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)c12 45368314 PATZGIQBOIKCNK-HZPDHXFCSA-N 422.527 5.088 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccc(C(F)(F)F)cc12 169339464 APMUIAUUVSIJRU-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF CC[C@H]1C[N@+]2([O-])CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253677553 AGLGJFNSMGBVNR-FZBVIUCNSA-N 418.537 5.077 5 1 HKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2ccc([N+](=O)[O-])cc21 587472101 YBUSGTUTBNZVHH-XMMPIXPASA-N 417.417 5.268 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3c3ncccc23)N1 587778533 LURFLJPQBMNYTD-YTEVENLXSA-N 422.301 5.308 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961470 KSRNERJZNYSUCL-UHFFFAOYSA-N 408.255 5.491 5 1 HKBF CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163966 JKELQXBGCXBCTO-UHFFFAOYSA-N 415.453 5.138 5 1 HKBF O=C1C[C@H](c2cccnc2-c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587512415 NQYKDOQGZAXDJL-JOCHJYFZSA-N 400.434 5.242 5 1 HKBF O=[N+]([O-])c1ccc([C@@H](c2c[nH]cc2-c2ccc(Cl)c(Cl)c2)n2ccnc2)cc1 27423440 OGNAJABMDPRKPP-FQEVSTJZSA-N 413.264 5.731 5 1 HKBF O=[N+]([O-])c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1F 587159851 VZOIEGYSDUONFU-LJQANCHMSA-N 415.783 5.571 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2)cc1 587272284 MGRCCWXHUFWLDR-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501122 WEHDXYHIFIXRKF-SFHVURJKSA-N 416.271 5.251 5 1 HKBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586915513 FBYZTBCNEXMSJC-CUNXSJBXSA-N 406.485 6.086 5 1 HKBF C[C@]1(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587508725 QFJNACPQADUGIT-NRFANRHFSA-N 419.399 5.459 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 103915713 BRGUXORVNQGJDT-BVZFJXPGSA-N 411.461 6.224 5 1 HKBF COc1cc(CC=C(C)C)c(O)c2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc12 238774854 NQUGEMRGQVLCFK-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF O=Cc1cc(Br)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586982652 NOSWFBQQIBOXBO-UHFFFAOYSA-N 401.263 6.111 5 1 HKBF COc1cccc(-c2cc(-c3c(C)cccc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587363928 XBBWGMZQDBYJOG-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169338529 KGGACDZQLVHVBN-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)o1 587265797 SVQWJNIMNJGWTF-UHFFFAOYSA-N 420.169 5.439 5 1 HKBF O=C1C[C@@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587511356 GGHFLAQKPSPDGV-QHCPKHFHSA-N 419.433 5.352 5 1 HKBF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645031 HUXBDOHGUOPXHN-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc(C(F)(F)F)c1 1772602732 WKEPDXWOQWKSFD-UHFFFAOYSA-N 415.780 5.609 5 1 HKBF COc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1[N+](=O)[O-] 299870092 VVJLHEQBQFSTQH-UHFFFAOYSA-N 407.357 5.252 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026557 VMWBLAWGKOLAAQ-UHFFFAOYSA-N 400.257 5.629 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 587051971 WQQMNTHGOOTMQA-KBPBESRZSA-N 405.288 6.237 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512465 OGJKTBLYWXFDKR-QHCPKHFHSA-N 402.450 5.279 5 1 HKBF C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCCC1CCCCC1 27876001 JQJOZQDGEGUMNA-UHFFFAOYSA-O 420.595 6.308 5 1 HKBF CN(C)CCCNc1ccc(OCc2ccccc2)c2sc3ccccc3c(=O)c12 101484738 OTBXKXSNCQLBOP-UHFFFAOYSA-N 418.562 5.357 5 1 HKBF O=[N+]([O-])c1cncc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011686 QODOPLMWSRZQPV-UHFFFAOYSA-N 408.464 5.633 5 1 HKBF Clc1ccc(-c2cnccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587075345 BTFWXMDULJHHKH-UHFFFAOYSA-N 405.888 7.252 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc([N+](=O)[O-])cc4Cl)nc13)-c1ccccc1C2=O 586994063 VWMGABHIAKHDNL-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OCc2cscn2)c1 587029259 MJCVDIBPLRSVAS-UHFFFAOYSA-N 409.474 5.362 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)Cc2ccccc2[N+](=O)[O-])N1 587748022 RSVXDDAOTYLMMH-IZDJOXEWSA-N 421.310 5.125 5 1 HKBF O=c1c2ccc(OCc3ccccc3C(F)(F)F)cc2[nH]c2cc(F)cc(F)c12 1911575542 AOGYZAGZEYPBPV-UHFFFAOYSA-N 405.322 5.557 5 1 HKBF CC(C)NC(=O)OCc1ccc(Sc2c3ccccc3nc3ccccc23)cc1 13603443 KYGXMYVLGFVCTI-UHFFFAOYSA-N 402.519 6.174 5 1 HKBF COc1cc2c(ccc3c4ccc5c(c4c[n+](C)c23)OCO5)c(-c2ccccc2)c1OC 95557821 HHRYFZLORQRCDE-UHFFFAOYSA-N 424.476 5.384 5 1 HKBF O=[N+]([O-])c1ccccc1N1[C@@H](c2ccccc2)[C@@]12C(c1ccccc1)=Nc1ccccc12 103276077 UYZAJZQOTRYWCS-ZDCXKQOISA-N 417.468 6.186 5 1 HKBF CN(C)C[C@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 169337803 AMGRMARQRHLFMR-KRWDZBQOSA-N 401.350 5.626 5 1 HKBF Cc1ccccc1-c1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587958685 FWSKMPDDJZIAAA-UHFFFAOYSA-N 422.282 5.800 5 1 HKBF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174697 FOFXZDCPZFBYSE-ZDUSSCGKSA-N 405.483 5.539 5 1 HKBF CCCCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1 95579285 BHDWBMZEJBJSMA-UHFFFAOYSA-N 423.553 5.576 5 1 HKBF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587148788 HHFYHFAOCYOEGP-HHHXNRCGSA-N 417.487 7.210 5 1 HKBF C[N@+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(Br)cc3)c12 254216452 JDISIZOQMXKSRK-MBSDFSHPSA-N 400.365 5.676 5 1 HKBF Cc1c(Br)ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587271575 GSGFRFGPGTXCQA-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)cc1 587273944 XBAAHOZRHYMFNZ-UHFFFAOYSA-N 410.227 5.693 5 1 HKBF Cc1ccc(-c2ccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)o2)c([N+](=O)[O-])c1 963121519 MAYJQZLHFVUFLN-HXUWFJFHSA-N 403.265 5.705 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc3ccccc23)cc1NN1CCCCC1 15936809 ZONWLMFBBLBJRD-UHFFFAOYSA-N 408.414 5.261 5 3 HKBF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587072524 RMNWXTWFBLOILY-XQJVFVEJSA-N 403.269 5.539 5 1 HKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cccc([N+](=O)[O-])c2CC3)c1 587363935 XEEAXGWFUFDJEA-UHFFFAOYSA-N 422.440 6.330 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)Cc2ccccc2[N+](=O)[O-])N1 587749824 ZNGXJNTWAAHURD-IZDJOXEWSA-N 421.310 5.125 5 1 HKBF COc1cccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1 40566147 ZODXFHXYTDHTCJ-UHFFFAOYSA-N 416.484 6.331 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587082000 BXEGYNRNRHATOP-UHFFFAOYSA-N 416.824 5.712 5 1 HKBF C[C@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 587525957 UJIYPZJOPOXDJW-SSEXGKCCSA-N 416.520 7.343 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCCCC[C@@]23c2ccsc2CCN3Cc2ccco2)cc1 962702588 FITXCZYFZUAJCM-QPPBQGQZSA-N 422.550 6.251 5 1 HKBF COc1c(O)c(CC=C(C)C)cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc12 14727614 JUEOVEHRKOYSOQ-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF biogenic Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 82163450 AFCLSMLIFQDPFL-UHFFFAOYSA-N 421.482 5.306 5 1 HKBF CC[N@@+](C)(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc(I)cc1 254132299 LQJYMJFNGHNDOF-LQBOVUBWSA-N 410.363 5.250 5 1 HKBF CCC[C@H](C)C(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1 13660897 GJNGVHTUWDVCBR-NSHDSACASA-N 410.455 5.387 5 3 HKBF CC1=C(/C=C/C2=NN(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)C(C)(C)CCC1 95591999 PZALNBQPONUQAJ-LECGRMGRSA-N 415.537 6.985 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587470220 JNEYPEWQXBZGHR-XMMPIXPASA-N 403.434 5.162 5 1 HKBF COc1ccc2cc([C@@H](C)c3nc4c5ccccc5c5ccccc5c4[nH]3)ccc2c1 587934303 JBDFOHBOAQTKSI-QGZVFWFLSA-N 402.497 7.183 5 1 HKBF O=[N+]([O-])c1sc([C@H]2NCCc3cccc(-c4ccccc4)c32)cc1Br 962670384 RLXXOVSHKHICIX-GOSISDBHSA-N 415.312 5.321 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2C(O)=C3Nc4ccccc4N3CN2c2ccc(Cl)cc2)cc1 169332114 DWZRKYXQPRVUSS-HXUWFJFHSA-N 420.856 5.426 5 1 HKBF O=[N+]([O-])c1cnc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2c1 587111742 HJRMGERCRHUNEY-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3c3ccccc23)N1 587824618 XUDPGOWILUKCLW-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF Clc1ccc(Br)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 586980642 ZPKQQWPKRFVYGF-UHFFFAOYSA-N 407.698 6.952 5 1 HKBF O=[N+]([O-])c1cccc(-c2ccccc2[C@H]2c3ccsc3CCN2Cc2ccco2)c1 962711107 SXYZVSVWKUXBLP-DEOSSOPVSA-N 416.502 6.064 5 1 HKBF OC(C[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 40917573 AMFVETCMQRLSFN-XTQOWRHRSA-N 412.597 5.412 5 1 HKBF O=[N+]([O-])c1ccccc1C1c2c(ccc3ccccc23)Oc2ccc3ccccc3c21 45290447 HVLXGMJPFBIBEQ-UHFFFAOYSA-N 403.437 7.187 5 1 HKBF C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccoc5)cc4c32)ccc1C 209010188 KOIOINMFIPQGKH-UHFFFAOYSA-N 421.456 5.232 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998959 UGVGJAPLZZPPEN-UHFFFAOYSA-N 424.254 5.480 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174200 BVQVAEGFZMYQQN-YJYMSZOUSA-N 407.474 5.314 5 1 HKBF CC(C)=CCC/C(C)=C\C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(C)/C=C/C=C(\C)CO 238782939 CCBSGQLGLZMKTB-ZOKNBRACSA-N 418.665 8.681 5 1 HKBF O=[N+]([O-])c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587018978 CPKKVAMQJIHBCS-UHFFFAOYSA-N 421.301 5.009 5 1 HKBF COc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Cl 587135808 OTQVWRSTPXUIEP-UHFFFAOYSA-N 411.820 5.915 5 1 HKBF Fc1ccc(/C=C(/c2nc3cc4nc5ccccc5nc4cc3[nH]2)c2cccs2)cc1 587164443 QSPYDWAVDTTXMJ-SFQUDFHCSA-N 422.488 6.449 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587747606 OZPJMMMYZHLDOP-BLVKFPJESA-N 407.283 5.074 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccc4ccccc4c23)N1 587824868 ZLUGGJJRSMQLFI-SHACYNPGSA-N 420.325 6.518 5 1 HKBF COc1cccc(-c2cc(O)cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587933557 QKLWGJBLRWAUSE-UHFFFAOYSA-N 416.480 6.918 5 1 HKBF COc1cc2cc(C(=O)[C@H]3CCC[N+](C)(Cc4ccccc4)CC3)sc2cc1OC 36286900 MLMBMROIKCDDBW-SXMXNQBWSA-N 424.586 5.548 5 1 HKBF CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163982 LOIJXLSNKAVWKW-UHFFFAOYSA-N 417.494 5.298 5 1 HKBF CC1=C(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)C(C)(C)CCC1 95590850 JLPGAELAEUPCKR-BEWKRWDNSA-N 415.537 6.985 5 1 HKBF COCCO[C@H]1[N+]([O-])=C(/C=C/c2ccc3ccc4cccc5ccc2c3c45)CC1(C)C 103083720 IOTCAAMIAROPJH-HEAKDJBOSA-N 413.517 5.968 5 1 HKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137755 MLMBMROIKCDDBW-NIYFSFCBSA-N 424.586 5.548 5 1 HKBF Cc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1 586966377 LOBGZLZAOUCMMX-UHFFFAOYSA-N 413.890 5.219 5 1 HKBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075166 DJAWNQYMSFSDIF-UHFFFAOYSA-N 410.868 5.474 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc([N+](=O)[O-])c1 587137072 RLTBHCGITWCKBT-UHFFFAOYSA-N 404.445 5.945 5 1 HKBF CC(C)=CCC/C(C)=C/CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 33833423 QZJYZYBNDHQCSP-LZYBPNLTSA-N 418.489 6.729 5 1 HKBF biogenic,in-vitro Cc1cc(Cl)cc(C)c1Oc1nc(Nc2ccc([N+](=O)[O-])cc2)cn2ccnc12 219678824 RKMNDUWMMFGAHI-UHFFFAOYSA-N 409.833 5.444 5 1 HKBF Cc1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 15936251 YKQQCSGCVNCOQE-UHFFFAOYSA-N 406.826 5.070 5 3 HKBF C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 34804435 LATWPWGSAWKBQI-UHFFFAOYSA-O 408.349 5.001 5 1 HKBF c1ccc(CCNc2nnc(NCCc3ccccc3)c3cc4ccccc4cc23)cc1 53229254 ZHYDIHLQDNTELY-UHFFFAOYSA-N 418.544 6.092 5 1 HKBF O=C1C[C@@H](c2ccc3ccc4cccc5ccc2c3c45)Oc2c1ccc1c2CCCC1 587521388 BYVURQUZEJZHJL-SANMLTNESA-N 402.493 7.169 5 1 HKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587864776 KZEVOMCHPJQKAU-UHFFFAOYSA-N 411.767 5.518 5 1 HKBF OCCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5939116 NRUCWRWNOOWSEM-WEMUOSSPSA-N 420.516 5.157 5 1 HKBF CC(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C 13397733 GKMHSJYLRXLVRG-NLRNOOKTSA-N 418.665 8.514 5 1 HKBF endogenous,in-man COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(OC)c3oc2c1CC=C(C)C 14781065 KGBJYZXDYBPQGM-UHFFFAOYSA-N 408.494 5.686 5 1 HKBF endogenous,in-man O=C(O)c1ccc2c(c1)nc(Nc1ccccc1)c1nc(Nc3ccccc3)ncc12 66066622 OREHNFKBJZRVLO-UHFFFAOYSA-N 407.433 5.363 5 1 HKBF CCOC(=O)CC1CCC(c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2)CC1 96273589 WZMFSQMVOTYKGV-UHFFFAOYSA-N 407.470 5.365 5 1 HKBF Cc1cc(C)c2cc([C@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169339467 ZMCZQUCKJICFDJ-GAJHUEQPSA-N 401.472 6.194 5 1 HKBF Cc1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587390851 RZDWVKLAYKMHHM-JOCHJYFZSA-N 404.422 5.293 5 1 HKBF Cc1nc2c(Cl)cccc2c(Cl)c1Cc1c(C)[nH]c2cccc([N+](=O)[O-])c12 587645064 JPTJGAUNVCLFKA-UHFFFAOYSA-N 400.265 6.139 5 1 HKBF C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1 1911577442 CTMFSRXCRWGXJY-UHFFFAOYSA-O 409.884 5.320 5 1 HKBF Brc1ccc(NCCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 586996028 QOPMXOXJNPTWOO-UHFFFAOYSA-N 416.322 6.286 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587749221 CTZWCGPJAAPOSM-OZUXQUDLSA-N 417.278 5.341 5 1 HKBF O=c1cc(N2CCN(c3ccccc3C(F)(F)F)CC2)c2ccc3ccccc3c2o1 1857548809 AHDAZCJDUQSPCQ-UHFFFAOYSA-N 424.422 5.292 5 1 HKBF O[C@@H](C1=CCC=CN1)c1cc(C2C3CC4CC(C3)CC2C4)nc2c1ccc1ccccc12 103187859 QHUGZWIDUMOJJR-UDKBMHFUSA-N 422.572 6.352 5 1 HKBF Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c32)c2ccccc12 95556398 UAEAEQPMGPMIFQ-UHFFFAOYSA-N 417.464 7.086 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccc3[N+](=O)[O-])nc3ccc(O)c1c23 586985408 GVGXSRLQEJRTIA-UHFFFAOYSA-N 402.793 5.380 5 1 HKBF Cc1onc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1COc1ccc(Cl)cc1 587075021 DIQDGGHDFYTPGE-UHFFFAOYSA-N 419.224 5.320 5 1 HKBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329780 APMSJEBCZPUWEZ-FYYLOGMGSA-N 407.397 5.022 5 1 HKBF Cc1nc2c3ccccc3ccc2c2nc3c(ccc4ccccc43)c(-c3ccccc3)c12 103299550 RZXMMCLYGKIMMA-UHFFFAOYSA-N 420.515 8.218 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCc1ccc([N+](=O)[O-])cc1)(c1ccccc1)O2 587390508 QUKXTLDSAPCMTB-RUZDIDTESA-N 416.477 5.369 5 1 HKBF COc1ccc([C@H](C)n2c(-c3ccc(C)cc3)cc(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772651163 VYUYEZXSRUWWEC-KRWDZBQOSA-N 414.461 5.503 5 1 HKBF Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccc(F)c(Cl)c4)c3oc2c1C 103299281 IAABPIXXQZDUCQ-UHFFFAOYSA-N 409.844 5.537 5 1 HKBF O=[N+]([O-])c1ccc2c(C(O)(C(F)(F)F)C(F)(F)F)c(-c3ccccc3)[nH]c2c1 587645295 OOIHHCKNZNXIQI-UHFFFAOYSA-N 404.266 5.055 5 1 HKBF CCCCCN(CCCCC)C[C@@H](O)c1cccc2c1cc(Cl)c1ccccc12 169337047 PXBZYULRDXLITH-AREMUKBSSA-N 412.017 7.362 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 103915727 BRGUXORVNQGJDT-IQGLISFBSA-N 411.461 6.224 5 1 HKBF Clc1nccnc1N1CCC(c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1 587085362 USJXIOWPZAKGKA-UHFFFAOYSA-N 413.912 5.697 5 1 HKBF COc1cc2[nH]c3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c(=O)c2cc1F 1911584357 JFBJCQYMAHOULX-UHFFFAOYSA-N 417.358 5.427 5 1 HKBF O=C(O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644473 FKBVXWLHEMKBIE-LJQANCHMSA-N 406.825 5.613 5 1 HKBF CCCCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1 27102993 RALOZQCIVUXVIJ-UHFFFAOYSA-N 423.517 5.100 5 1 HKBF O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644711 LBTGXKGKBPTMDA-GOSISDBHSA-N 406.825 5.613 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3c3ccccc23)N1 587818445 DHIUFQWZGZBXGF-SHACYNPGSA-N 420.325 6.518 5 1 HKBF O=C(Nc1ccc2ccc3ccc(NC(=O)c4ccccc4)nc3c2n1)c1ccccc1 664956 SRGPIQNSWGWCDB-UHFFFAOYSA-N 418.456 5.288 5 1 HKBF O=C(CCC(=O)N1CCCCC1)Nc1cc2c3ccccc3ccc2c2ccccc12 26735651 IZDHTXCAZOMAKV-UHFFFAOYSA-N 410.517 5.877 5 1 HKBF C[N+](C)(CCCCCOc1ccccc1Cl)Cc1ccc(Br)o1 169318424 PYWXGCYXHVCEQP-UHFFFAOYSA-N 401.752 5.521 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c12 586896244 KZUBEZUSRFUEBK-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF CC(C)(C)OC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26753040 KTLCBCNCYPCXHN-HSZRJFAPSA-N 413.473 5.590 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333040 HKROALVECPZEKG-FYYLOGMGSA-N 407.397 5.022 5 1 HKBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 587631443 MNNRMSVZDPRWDT-UHFFFAOYSA-N 409.804 5.788 5 1 HKBF Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c(C)c1Cl 587644707 KZZHPROZNAYBSC-UHFFFAOYSA-N 415.280 5.912 5 1 HKBF O=C(Nc1nc2c(ccc3onc(-c4ccccc4[N+](=O)[O-])c32)s1)C1CCCCC1 13660921 UBVFQIFHMHTMJE-UHFFFAOYSA-N 422.466 5.532 5 3 HKBF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)CC1 586881165 QSQJWQBNFSAZSW-WKILWMFISA-N 422.485 6.510 5 1 HKBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587113122 KFWRMGCIJCJGRV-ZDUSSCGKSA-N 406.411 6.024 5 1 HKBF O=C(Nc1ccccc1)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 587631876 YGXQFJXORVSAHE-UHFFFAOYSA-N 409.804 5.788 5 1 HKBF C[C@@H](C(=O)NCCC[N+](C)(C)C)c1ccccc1Nc1c(Cl)cccc1Cl 38405153 BSXYTTBFYWHSOB-OAHLLOKOSA-O 409.381 5.053 5 1 HKBF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccc([N+](=O)[O-])cc2)nn1 84759151 NGVCBZBUBZOKRE-AWEZNQCLSA-N 400.463 5.831 5 1 HKBF Cc1ccc(C)c2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 587118583 PIPQNWYTSVRBQX-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF O=C(c1cc(Cl)ccc1Cl)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645345 RFJRBZIENNTOIB-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3cc3ccccc23)N1 587824075 TXHGAZBAYFSVLC-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCC 4214421 AZXBVHJRHKMVAJ-MOPGFXCFSA-N 409.914 5.178 5 1 HKBF COC(=O)c1cccc(-c2ccc(C[N+](C)(C)CC3=CC[C@H]4C[C@@H]3C4(C)C)cc2)c1 95562744 XHIJPXCBNQQRGB-DQEYMECFSA-N 404.574 5.709 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587069241 DIVZBRDFOQDDSK-YGGSDNEFSA-N 420.271 6.283 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3O)c(C)c2c1 587638209 CPBVXFRSYYLCGU-JTQLQIEISA-N 403.276 6.033 5 1 HKBF Cc1cc(Nc2cc(Cl)cc(-c3cc4ccccc4c4ccccc34)c2)nc(N)n1 1772652269 FPFCXMZBCXLTLD-UHFFFAOYSA-N 410.908 6.738 5 1 HKBF CCN(CC)CCOc1ccc(-c2c(C)c3c(ccc4ccccc43)oc2=O)cc1 61923126 UHHSOPBEKRILEM-UHFFFAOYSA-N 401.506 5.642 5 3 HKBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1F 586975988 QYVKJNCNQHJSPH-UHFFFAOYSA-N 405.010 5.347 5 1 HKBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Br 586978226 ZHRLDYZHNVLGAF-HWKANZROSA-N 408.639 5.066 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 586998490 KYTPOQNCAHYRST-YFHOEESVSA-N 410.227 5.664 5 1 HKBF O=C1C[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Oc2c1ccc1c2CCCC1 587512295 MVJRTFRHGHAFRC-DEOSSOPVSA-N 415.445 5.972 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586998933 SNPKDGLTIVGZBG-UHFFFAOYSA-N 424.254 5.480 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333042 HKROALVECPZEKG-GGAORHGYSA-N 407.397 5.022 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cccc([N+](=O)[O-])c1)c1ncccc1C 963237680 YRDBGKQFIAYGKA-DFBJGRDBSA-N 401.510 5.247 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(OC)ccc12 169332934 WNAWDUPAFPDGIL-RUZDIDTESA-N 413.989 6.591 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(Cl)c(Cl)cc12 169338876 ITHVUGSODBQBFW-LHSJRXKWSA-N 408.756 6.519 5 1 HKBF O=C(c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644909 FMTZEEMOJJEGQR-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3cc3ccccc23)N1 587824073 TXHGAZBAYFSVLC-JBEBIEQOSA-N 420.325 6.518 5 1 HKBF COc1ccc(C2=Cc3ccc(F)cc3[C@@H](C[N+](=O)[O-])N2c2ccc(Cl)cc2)cc1 653801307 NPTQCMHDTYMTTI-HSZRJFAPSA-N 424.859 5.824 5 1 HKBF Clc1ccc(Br)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 586979807 CGXYYVQOLDDUIR-UHFFFAOYSA-N 409.674 5.742 5 1 HKBF Brc1cnc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cccn12 587008869 ZHBPLRWVWQAXDL-UHFFFAOYSA-N 413.278 5.947 5 1 HKBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587269520 FKCNYQQSGMVNTP-UHFFFAOYSA-N 405.435 5.014 5 1 HKBF Clc1ccc2nc3[nH]c4ccccc4c3c(N3CCC(N4CCCCC4)CC3)c2c1 40939266 MYEZPFNVUVYPAH-UHFFFAOYSA-N 418.972 5.977 5 1 HKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(F)c1 96269769 CNDJXGSDDHGEBJ-UHFFFAOYSA-N 424.435 5.211 5 1 HKBF COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(Cl)c1OCC(C)C 587046919 PFOZSCNZLCWLCF-QPJJXVBHSA-N 401.850 5.338 5 1 HKBF Cc1c(Br)cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1C 587264574 IHJCNFVAIFVRGL-UHFFFAOYSA-N 412.243 5.777 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl 587049608 CAVNEJRRKFELPB-UHFFFAOYSA-N 408.628 6.358 5 1 HKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 587337614 BTLSLLLLPAXKEQ-ISKFKSNPSA-N 419.408 5.030 5 1 HKBF COc1ccc(Cc2cc3c(=O)n(-c4ccccc4F)ccc3c3ccccc23)cc1 1857753939 OOQXSLOLELUQPS-UHFFFAOYSA-N 409.460 5.882 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267686 OZXAUMFFFMKJJC-UHFFFAOYSA-N 403.486 5.297 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751295 LYIOFHMTBCFELK-GIGQVBGESA-N 419.250 5.040 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12 169333881 WNOUKWQFGLKTOD-NBGIEHNGSA-N 416.952 6.274 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587746366 JQVLHIVXDSQJKU-WLJZQBBPSA-N 405.267 5.175 5 1 HKBF O=[N+]([O-])C[C@@H](c1cccs1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)ccc12 1857534012 ZGVDYNGUHJBELZ-INIZCTEOSA-N 417.317 6.612 5 1 HKBF CCCc1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 15936805 RRTGHOVSPJJBEJ-UHFFFAOYSA-N 400.435 5.061 5 3 HKBF CCN(CC)CCC[C@H](C)Nc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12 40940335 GQDYYPSJIAYIIU-INIZCTEOSA-N 408.977 6.445 5 1 HKBF COc1cc2c(cc1OCc1ccccc1)ncc1c(N)nc(-c3cccnc3)cc12 45320569 YCCPGMJTPHAWRA-UHFFFAOYSA-N 408.461 5.015 5 1 HKBF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587062426 SKPLUWODYZXTCU-CYBMUJFWSA-N 410.655 5.417 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc1)O2 587377381 HERIAYCUXLYHHU-NRFANRHFSA-N 424.840 5.638 5 1 HKBF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12 587513240 QXKHNBHMZNPARW-RUZDIDTESA-N 413.429 5.488 5 1 HKBF COc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(OC)c2)c1 1857574393 YFBZHNOVGLRCPR-UHFFFAOYSA-N 417.425 5.042 5 1 HKBF Cc1nc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2cc1Br 586969095 NENXNCJMIIULAG-UHFFFAOYSA-N 421.320 5.352 5 1 HKBF C[C@H](Cc1ccccc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988038 WGPCTMKOZGIOAC-CQSZACIVSA-N 410.429 5.406 5 1 HKBF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1 587047926 BXIYGXDSQILWFE-NEPJUHHUSA-N 405.288 6.237 5 1 HKBF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329936 AXUPPWAZSMRDQA-GMAHTHKFSA-N 407.397 5.022 5 1 HKBF O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587645832 LHSGHLCXLPIMFO-UHFFFAOYSA-N 409.398 5.127 5 1 HKBF O=C(O)c1ccc2cc([C@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169338178 OZMMWMAPZPSCED-HRAATJIYSA-N 417.427 5.276 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1C)CC2=O 587473229 RJKNMWNBDWNCOM-QFIPXVFZSA-N 406.438 5.059 5 1 HKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c3ccccc3cc3cccc1c23 587487250 ZQFHNQBTPLRQHJ-MHZLTWQESA-N 408.453 5.708 5 1 HKBF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nc(O)c4ccccc4c3c2)cc1 1857553879 BAMNDSOYJXZRME-UHFFFAOYSA-N 406.507 5.192 5 1 HKBF CCC1(CC)CC(C)(C)Oc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc21 1857775345 NZDZWNRWRJHTKA-UHFFFAOYSA-N 413.543 6.023 5 1 HKBF CC(C)c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(O)c(C(C)C)c1 586896565 OFAGPNIDELYFCO-UHFFFAOYSA-N 418.291 5.853 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Cl 587047785 NFPFOGLOHRGIHF-XFFZJAGNSA-N 405.841 5.874 5 1 HKBF Cc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1C 587119044 UORMOJJLHRKLJL-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF O=C1C[C@H]2CCN(Cc3cccc([N+](=O)[O-])c3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211059860 QFYGFVCWCDKHJS-GQYOZWOXSA-N 418.537 5.033 5 3 HKBF O=[N+]([O-])c1ccc(C[n+]2ccn([C@H](c3ccccc3)c3cc4ccccc4o3)c2)cc1 95588835 RUAAKYAZVIZCAH-RUZDIDTESA-N 410.453 5.116 5 1 HKBF CC(C)NC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169338908 IGIMYMRGPGOJKM-IBGZPJMESA-N 415.377 6.062 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)o1 587265603 RGLFPIYLGJGEAX-UHFFFAOYSA-N 424.285 5.447 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)c1 587269409 CEJHNCHAFOVSPF-UHFFFAOYSA-N 416.384 5.812 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccccc3nc3ccccc23)N1 587777498 IGYFKABBNHGYLE-ZAMGYDSWSA-N 421.313 5.913 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3c3ccccc23)N1 587818442 DHIUFQWZGZBXGF-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF O=[N+]([O-])c1ccc(-c2ncncc2-c2ccc(C(F)(F)F)cc2C(F)(F)F)o1 1772626316 GKJQBJIRGWMITA-UHFFFAOYSA-N 403.238 5.349 5 1 HKBF OCc1ccccc1-c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586894840 FELHJMPCBYSRNH-UHFFFAOYSA-N 402.457 5.486 5 1 HKBF Clc1nccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1Br 586979811 VXVDTGHERZBZGD-UHFFFAOYSA-N 408.686 6.347 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3ccc(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587037182 FMYCKCVQAGDAHR-UHFFFAOYSA-N 422.466 6.038 5 1 HKBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)nc2cccc3c2c1-c1ccccc1C3=O 587104764 IJWNOPDGJYVLAA-UHFFFAOYSA-N 405.413 5.811 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587483360 QETHYQBNHYDANQ-RUZDIDTESA-N 406.481 6.949 5 1 HKBF CCOP(=O)(Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3s2)cc1)OCC 27900229 NCLBIQNVHPPDQM-UHFFFAOYSA-N 406.400 5.638 5 1 HKBF OC(C[C@@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 40917571 AMFVETCMQRLSFN-RNTQYEQUSA-N 412.597 5.412 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163485 IKTKUSWOMKSMPS-YJYMSZOUSA-N 407.474 5.314 5 1 HKBF CCCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174034 AGBJVXCITLHOEH-UHFFFAOYSA-N 405.483 5.541 5 1 HKBF CCCC(Br)(CCC)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586970945 MPAGHIKQQPSKHJ-UHFFFAOYSA-N 419.117 5.424 5 1 HKBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)F 587645512 XPBIFCSKNXYZND-UHFFFAOYSA-N 402.250 5.263 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750102 GKYOCOSAVRWLQA-WLRWDXFRSA-N 415.262 5.273 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587753600 VWNZPSSIWSVPCP-MPBGBICISA-N 421.310 5.224 5 1 HKBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587265868 YCDFLVVPNKUKFI-SECBINFHSA-N 424.240 5.129 5 1 HKBF O=C(c1cc2ccc(Br)cc2s1)c1coc2cc([N+](=O)[O-])ccc12 587280597 LPFFAYCRLXDFEX-UHFFFAOYSA-N 402.225 5.549 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Cl)o1)[C@@H](C2)C3=O 587419241 KNSFQCJUBUDOFN-QKKBWIMNSA-N 411.797 5.006 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Oc2c1ccc1c2CCCC1 587508584 RZUKYJYTTCOBGC-QFIPXVFZSA-N 423.852 6.094 5 1 HKBF C[n+]1c2ccccc2c(Nc2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c21 1772582658 HNRUTDGXADJUJK-UHFFFAOYSA-O 408.403 5.941 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c(Cl)cccc2nc2[nH]c3ccccc3c12 40943524 OSLYGNSQYSNCJK-MRXNPFEDSA-N 408.977 6.445 5 1 HKBF O=[N+]([O-])c1cnc(Nc2cccc3ncccc23)nc1Nc1ccc2ncsc2c1 64479904 HOEFCEBAKODNLB-UHFFFAOYSA-N 415.438 5.030 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])c(Cl)s3)nc3ccc(O)c1c23 586993313 FUUFLSLWIVYGHG-UHFFFAOYSA-N 408.822 5.442 5 1 HKBF COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587046984 QOFBGHFUOFERNL-BQYQJAHWSA-N 401.850 5.338 5 1 HKBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587148684 KAAFODAVCZZUNH-UHFFFAOYSA-N 412.403 5.005 5 1 HKBF O=C(O)Cc1c(-c2ccc3ccc4cccc5ccc2c3c45)nc2cccc3c2c1CC3 587215576 QMBRDGWONIVWQL-UHFFFAOYSA-N 413.476 6.525 5 1 HKBF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3cc4ccccc4c2c13 587528482 AAIVJBRVNYETEJ-MUUNZHRXSA-N 404.465 5.929 5 1 HKBF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@H]2c1ccc([N+](=O)[O-])cc1 962398931 OFZVGRHZDTUXGD-REWPJTCUSA-N 407.539 5.216 5 1 HKBF CC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12 95560392 UUYJMCWMYJKRRK-UHFFFAOYSA-N 421.588 7.934 5 1 HKBF O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C21 103996724 WQGKESVMUDEIBW-CRICUBBOSA-N 411.461 6.224 5 1 HKBF O=[N+]([O-])c1cnc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587074142 TZOSAQIMYUWRMG-ATVHPVEESA-N 404.857 5.693 5 1 HKBF Cc1c(Br)cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1C 587270752 SFNVLTWEVRDDIS-UHFFFAOYSA-N 423.270 5.579 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)c12 587646267 ZFOPMKYTSIDKKT-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF CCCc1ccc(OCc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)o2)cc1 587280553 ZWKYTQUIPJGFQQ-UHFFFAOYSA-N 405.406 5.697 5 1 HKBF Cc1ccccc1-c1coc2cc3occ(-c4ccccc4C)c(=O)c3c(O)c2c1=O 653905158 KNQNHNNFHNEOSZ-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF COc1cccc2c3c(cnc12)CCN[C@]31C(=O)c2cccc3cc4ccccc4c1c23 963060775 WWFKRGBDTMVKPS-MUUNZHRXSA-N 416.480 5.135 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)ccc12 169338984 HSHXKUQLSQCFHT-LHSJRXKWSA-N 408.756 6.519 5 1 HKBF Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376885 UWAXKCOKROOWKZ-QHCPKHFHSA-N 422.868 5.356 5 1 HKBF CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4cccc([N+](=O)[O-])c34)ccc21 587647785 PVZWTTLKXDMTON-UHFFFAOYSA-N 412.449 5.765 5 1 HKBF O=c1c(Nc2ccc([N+](=O)[O-])cc2)c(-c2ccco2)oc2c(Cl)cc(Cl)cc12 1857648902 ZIHFIXFMDMDJAB-UHFFFAOYSA-N 417.204 6.012 5 1 HKBF COc1cc2c(=O)c3c(O)c(CC=C(C)CCC=C(C)C)c(O)cc3oc2cc1O 2356626356 VEGUCVDYIMCIAZ-UHFFFAOYSA-N 410.466 5.307 5 1 HKBF O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(/C=C2/SC(=S)N=C2O)c1 27747679 HTMAJQWJRYVKJO-OVCLIPMQSA-N 422.940 5.870 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1F 587069555 JNUIUSJUYSOMMO-ATVHPVEESA-N 421.859 6.437 5 1 HKBF CC(C)(C)OC(=O)N1C[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C(F)(F)C1 587132185 MFCUWHWFSICSGV-GOSISDBHSA-N 423.463 5.839 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCCC1 587226409 PZTTXARNRFPQRT-OAQYLSRUSA-N 417.513 5.415 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)o1 587265776 SPTOTGGSSSMBGS-UHFFFAOYSA-N 402.179 5.300 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cc1 587271377 BEOXLHPOAMTBLV-UHFFFAOYSA-N 423.428 6.723 5 1 HKBF Cc1cc(O)c2c(c1)[C@H](C(C)C)Cc1cc3c(cc1-2)cc(C(C)C)c1cc(C)cc(O)c13 14637589 WSXCYVPTRKTYTO-QFIPXVFZSA-N 424.584 8.107 5 1 HKBF biogenic O=[N+]([O-])c1ccc(-n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)cc1 103199933 ORZZAUFJTZZVCC-UHFFFAOYSA-N 401.266 5.485 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](Cc1ccccc1[N+](=O)[O-])CC3 587103962 CLTWOIMKPYRETF-MRXNPFEDSA-N 406.441 5.627 5 1 HKBF CC(C)(C)OC(=O)N[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCCC1 587226407 PZTTXARNRFPQRT-NRFANRHFSA-N 417.513 5.415 5 1 HKBF Cc1ccc(C)c(Sc2c(Cc3ccccc3F)[nH]c3cccc([N+](=O)[O-])c23)c1 587645660 GQEJAMYQFGJIQJ-UHFFFAOYSA-N 406.482 6.574 5 1 HKBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587070008 OICYOQPGNQJBHM-ZDUSSCGKSA-N 400.869 5.689 5 1 HKBF Cc1ccc(Sc2ccccc2CN(C)C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 40428734 PWVMDDIYWPUTLR-UHFFFAOYSA-N 421.522 5.368 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc([N+](=O)[O-])c1 587136297 FZJQHARQDOYIRI-UHFFFAOYSA-N 401.441 6.131 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587163398 IOPNPGSPYUWNTD-UHFFFAOYSA-N 418.247 5.768 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1[N+](=O)[O-] 587950514 ROOLAPAXXLKFOD-ZHACJKMWSA-N 402.366 5.342 5 1 HKBF CCc1ccc(OCc2ccc(C(=O)c3coc4cc([N+](=O)[O-])ccc34)cc2)cc1 587278867 AHOPWCVTFZOXMC-UHFFFAOYSA-N 401.418 5.713 5 1 HKBF O=C(c1ccccc1)n1c2ccc(Br)cc2c2nc3ccccc3nc21 1860781 NGAUONVFJOAPKE-UHFFFAOYSA-N 402.251 5.189 5 1 HKBF CCN(CC)CCCNc1nc2c3ccncc3ccc2c2cc(OC)c(OC)cc12 71280528 TWSHMDJTPNFMQE-UHFFFAOYSA-N 418.541 5.097 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccco4)C3=C(O)C2)c1 104001917 KGMJCVXISDORQZ-CMJOXMDJSA-N 401.422 5.817 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)c1 587270399 NOFDTSXELZXXLJ-UHFFFAOYSA-N 408.417 5.992 5 1 HKBF C[C@@]1(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510585 LSEHULQMGWOZKR-VWLOTQADSA-N 420.509 5.345 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)[C@@H]1C2 95558506 XXALYKCZMCXYMZ-ZEQRLZLVSA-N 414.535 6.941 5 1 HKBF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12 253761187 UMAWGIQJLCNKLK-IXRYWKGJSA-O 401.659 5.931 5 1 HKBF Cc1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979554 FWMUQWNHWNOXJO-UHFFFAOYSA-N 401.047 5.516 5 1 HKBF Cc1c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587260885 KKWVCZJCAJJCLC-UHFFFAOYSA-N 404.264 5.244 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cc1 587271342 BZYNVLGYISGITF-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF O=[N+]([O-])c1cncc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998295 ICJTZTYATHCURH-SOFGYWHQSA-N 411.215 5.059 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587097670 MULDUDGDZRRTNQ-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF CC(C)=CCCC(C)=CCC[C@H](C)C=CC(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12 2356319479 IUUKDWXSYSAIGO-CDILPITASA-O 401.659 5.787 5 1 HKBF Cc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)c1Br 586979664 TYJOVYMTQNRJKR-UHFFFAOYSA-N 404.271 5.101 5 1 HKBF O=[N+]([O-])c1cccc([C@]2(c3ccc(F)cc3)NCCc3c(Cl)cc(Cl)cc32)c1 963103828 GTYIDUDWQWCWHU-NRFANRHFSA-N 417.267 5.478 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587055067 QUBCSSBSDVFPBT-QPJJXVBHSA-N 413.058 5.711 5 1 HKBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])c(Cl)s4)nc13)-c1ccccc1C2=O 587103624 ZBXVRKUEIOSGIT-UHFFFAOYSA-N 406.850 6.045 5 1 HKBF O=C1C[C@H](c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 587506689 OCWMWHXPJHCGJV-JOCHJYFZSA-N 422.868 5.624 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCCCC[C@@]23NCCc2cccc(-c4ccccc4)c23)cc1 962660150 HHIIJAVXFDWUGZ-AHKZPQOWSA-N 412.533 6.351 5 1 HKBF Cc1cc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Br 586975827 GGRGEFMFQMKPTB-UHFFFAOYSA-N 401.307 6.531 5 1 HKBF Clc1ccc(Br)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 586980472 RVLAGCOMNZPQSA-UHFFFAOYSA-N 409.674 5.742 5 1 HKBF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512339 WUFRIIWQXILDBE-HSZRJFAPSA-N 402.450 5.279 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3c3ncccc23)N1 587778261 JAYOXSLWLNSPLN-IPQOISQHSA-N 422.301 5.308 5 1 HKBF COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3cnc4ccccc4c23)cc1 1772576982 HESHMQCVURYXQD-UHFFFAOYSA-N 407.429 6.034 5 1 HKBF Cc1c2ccnc(NCCCN)c2cc2c1[nH]c1ccc(OCc3ccccc3)cc12 6069488 RJVRXHXDGYKEFQ-UHFFFAOYSA-N 410.521 5.517 5 1 HKBF c1coc(CNCc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c1 587231827 GDAKJLHQFXAXNM-UHFFFAOYSA-N 403.485 6.419 5 1 HKBF CC[N+](CC)(CC)Cc1ccc(C(=O)c2ccc(C[N+](CC)(CC)CC)cc2)cc1 299844540 DQCFTSPWQNWMAQ-UHFFFAOYSA-N 410.646 5.671 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2=O 587496474 YBIGYDLUISKFJO-LJQANCHMSA-N 409.463 5.688 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCCCC[C@]23c2ccsc2CCN3Cc2ccco2)cc1 962702591 FITXCZYFZUAJCM-ZJSXRUAMSA-N 422.550 6.251 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963094782 DCERQQWCTDWBMM-OFVILXPXSA-N 402.469 5.355 5 1 HKBF Cn1c2nc3ccc(Br)cc3c-2c(NCCCN)c2cc(Cl)ccc21 103146984 YKHXSCQEYLFQMS-UHFFFAOYSA-N 417.738 5.008 5 1 HKBF FC(F)(F)CSc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccn1 587092300 CGOCCIINGUAKFE-UHFFFAOYSA-N 409.436 6.586 5 1 HKBF Fc1ccc(/C=C(/c2nc3c4cccnc4c4ncccc4c3[nH]2)c2cccs2)cc1 587164936 ZMCSZENOZZNCEG-XMHGGMMESA-N 422.488 6.449 5 1 HKBF O=C1C[C@@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CC2)Oc2c1ccc1c2CCCC1 587513394 RXENXGQYXGLHTP-DEOSSOPVSA-N 402.450 5.226 5 1 HKBF COc1ccc2nc3ccc(COC(=O)c4ccc(Cl)cc4)cc3c(Cl)c2c1 58547783 JIEIATYVGNXQIP-UHFFFAOYSA-N 412.272 6.060 5 1 HKBF O=C1c2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Cl)cc1F 653833265 SPWKPDZJGILFMX-UHFFFAOYSA-N 419.195 6.125 5 1 HKBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)cc(C(F)(F)F)c1 653853297 MCFJARUPUWSCBV-UHFFFAOYSA-N 415.780 5.609 5 1 HKBF CC(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(C)C 936069652 HGWBSMBLLOMJGT-PXWKFJRCSA-N 400.650 9.485 5 1 HKBF in-vitro c1ccc2c(-c3ccc(CCN4CCOCC4)cc3)c3[nH]c4ccccc4c3nc2c1 95574070 YNGZISOFNOGOSY-UHFFFAOYSA-N 407.517 5.411 5 1 HKBF CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])[C@@H]1OCCCO 103082502 NWKKJZOZYUACLY-HEAKDJBOSA-N 413.517 5.704 5 1 HKBF COC(=O)c1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 587261176 XJXPFIBVDKKEGQ-UHFFFAOYSA-N 420.400 5.116 5 1 HKBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335344 LDJRNDUMTJWVPK-GMAHTHKFSA-N 407.397 5.022 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2c1[N+](=O)[O-] 587577325 RVOVPSDLKPHSPS-YKSBVNFPSA-N 413.385 5.157 5 1 HKBF CC[C@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1 82163795 DWBJMYIPTHMAAD-ZDUSSCGKSA-N 405.483 5.539 5 1 HKBF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174278 YRZUGBDTQQYWTN-UHFFFAOYSA-N 407.474 5.316 5 1 HKBF Cn1c2cc(=NC(=O)c3ccccc3)ccc-2c2cccc3c2c1c1ccccc1n3C 377805976 HLYHONCMXLEVGX-UHFFFAOYSA-N 415.496 5.669 5 1 HKBF O=[N+]([O-])c1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2F)cc1 587210871 XVGZIBLNILZJTO-UHFFFAOYSA-N 400.409 5.627 5 1 HKBF Cc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163563 WTQZTAMCFCIHAZ-UHFFFAOYSA-N 421.844 5.281 5 1 HKBF CC(=O)c1ccc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc1 586880555 NVFBHQJHCRCKKB-UHFFFAOYSA-N 414.468 6.196 5 1 HKBF Cc1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1[N+](=O)[O-] 587068236 NBFQFXNRAPRMAW-UHFFFAOYSA-N 419.828 5.546 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl 5893100 YIAXSBNLNLHQBR-IBGZPJMESA-N 406.269 5.213 5 1 HKBF Clc1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)nn1 587087213 JHKYMZOARGJOIT-UHFFFAOYSA-N 408.852 5.437 5 1 HKBF COc1ccc(C2(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC3(CCC3)C2)cc1 587935547 NKCRIXGGKYRZLP-UHFFFAOYSA-N 418.540 7.128 5 1 HKBF O=[N+]([O-])c1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c(Cl)cc1Cl 962700218 CFYREHDDWFOCGE-SFHVURJKSA-N 409.294 5.704 5 1 HKBF COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3cnc4ccccc4c23)cc1 1772625277 GKVCUWUIVUQIJP-UHFFFAOYSA-N 412.492 7.279 5 1 HKBF COc1c(CC=C(C)C)c(O)c2c(=O)c3c(O)ccc(O)c3oc2c1CC=C(C)C 14727623 GQJMECUTIMYMNR-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF biogenic,in-vitro Cc1nc(COc2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cs1 587020214 IASNVJOWZLUNKZ-UHFFFAOYSA-N 400.847 5.135 5 1 HKBF COc1cc2c(=O)c3c(O)c(C=C(C)CCCC=C(C)C)c(O)cc3oc2cc1O 2356485012 PFUUALWTCREXES-UHFFFAOYSA-N 410.466 5.611 5 1 HKBF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13661889 JCFITQHCTOJUNS-RSYZFUPGSA-N 424.500 5.654 5 1 HKBF O=c1c2ccccc2c(Cc2cccc3ccccc23)nn1-c1ccc([N+](=O)[O-])cc1 40565763 BPANEQKJRPUTIT-UHFFFAOYSA-N 407.429 5.038 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1cc(Cl)c1ccccc12 169333999 BFEWGFGGNURVKM-SGTLLEGYSA-N 408.851 5.626 5 1 HKBF O=C1C[C@@H](c2ccccc2Oc2ccccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513807 UOOABAKDGJRGKY-DEOSSOPVSA-N 415.445 5.972 5 1 HKBF CCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337929 LCTNMDZSYMSLEE-SFHVURJKSA-N 401.350 5.674 5 1 HKBF O[C@@H](CNC1CCCCC1)c1cc2ccccc2c2cc(OC(F)(F)F)ccc12 169339419 FDCLUURVRVOLEO-QFIPXVFZSA-N 403.444 5.847 5 1 HKBF COc1cccc(CN2C(=O)/C(=C/C=C/c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 474609016 NOZXPLNYHOGSHE-XCTFWQANSA-N 412.445 5.247 5 1 HKBF O=[N+]([O-])c1cn(C[C@H](OCc2ccccc2F)c2ccc(Cl)cc2Cl)cn1 66079355 DDJCNGCHJZADLC-KRWDZBQOSA-N 410.232 5.195 5 1 HKBF CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)[C@@H]1C2 95562203 RJDGJHIFROIGBI-UPVQGACJSA-N 414.535 6.941 5 1 HKBF Cc1cc2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2cc1[N+](=O)[O-] 586982376 UHCOWOJROYNQIZ-UHFFFAOYSA-N 418.291 5.634 5 1 HKBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046710 KKPYDVFANAGQRF-PLNGDYQASA-N 419.840 5.477 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 963234291 VEBKIYUQNGTVQI-CJAUYULYSA-N 420.940 6.197 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587269818 HFBRVLNFJPLHGD-UHFFFAOYSA-N 418.416 5.297 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 963221660 ARKBTJHYBZGASI-MZNJEOGPSA-N 406.551 6.243 5 1 HKBF Cc1nc(-c2cnc(NCC3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174288 MMWZLKCRLHCRRJ-UHFFFAOYSA-N 423.542 5.784 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccc(Cl)cc12 169338917 ICDSOINTQFZHPW-SZNDQCEHSA-N 408.756 6.519 5 1 HKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587949326 RVPSOJLDSZFJSJ-PTSWNOGYSA-N 422.485 5.151 5 1 HKBF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CC(C)(C)CC2=N1 104071009 VLXJWYLWFXMCQW-OAQYLSRUSA-N 424.497 5.525 5 1 HKBF O=C1c2cc(F)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Cl)cc1F 653831368 DVYFUWALEKHVMA-UHFFFAOYSA-N 402.740 5.611 5 1 HKBF FC(F)(F)c1ccc2ncc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1 587111764 HMBOLMFWLDULBP-UHFFFAOYSA-N 415.378 5.893 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333044 HKROALVECPZEKG-GMAHTHKFSA-N 407.397 5.022 5 1 HKBF CC(C)(C)OC(=O)N1CCC[C@@H](c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccc2)C1 587649076 PBPOPIJBSMAAIZ-QGZVFWFLSA-N 421.497 5.858 5 1 HKBF Cc1cccc(-c2coc3c(c(O)cc4occ(-c5cccc(C)c5)c(=O)c43)c2=O)c1 653882186 YODNETMUXGRYDW-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF COc1cc2c(=O)c3c(O)c(/C=C(\C)CCCC=C(C)C)c(O)cc3oc2cc1O 238735732 PFUUALWTCREXES-NTEUORMPSA-N 410.466 5.611 5 1 HKBF Cc1c(-c2cccc(Cl)c2)[nH]c2ccccc2c1=NC(=O)c1cccc([N+](=O)[O-])c1 473115869 UZHYSECDYJDABV-UHFFFAOYSA-N 417.852 5.446 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587270679 QGJMXWRRLAZBEB-UHFFFAOYSA-N 414.181 5.038 5 1 HKBF O=c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccc2n1Cc1ccc2ccccc2c1 1772651150 UNELOQPSWGBUNE-UHFFFAOYSA-N 407.429 5.173 5 1 HKBF Cn1c2ccccc2c2nn(CCN3CCCCC3)c3cc4c(c1c23)C=CC(C)(C)O4 26577744 VTHGXGLHEMUMPV-UHFFFAOYSA-N 414.553 5.351 5 1 HKBF C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4c5c(c3sc-2c1)CCCN5CCC4 34964460 SZLAHMQFHATYMF-UHFFFAOYSA-N 411.594 5.404 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169338521 KGGACDZQLVHVBN-KKSFZXQISA-N 407.863 6.231 5 1 HKBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587079028 FNZLZLBOWZDZKY-OAHLLOKOSA-N 412.884 5.037 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)cc1 587272546 VAWDCZUATBCZOJ-UHFFFAOYSA-N 417.318 6.088 5 1 HKBF CC/N=c1/cc2oc3cc(NCCCN)c4cc5ccccc5cc4c3nc-2cc1C 29058089 SQYFEHAMKHDWTQ-HFTWOUSFSA-N 410.521 5.229 5 1 HKBF CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])c(Sc3cccc(Cl)c3)n2)cc1 64521308 RRPLDVIQXBLXCN-UHFFFAOYSA-N 414.918 6.231 5 1 HKBF FC(F)(F)C(F)(F)CN1CCC(COc2nc3ccccc3c3ccccc23)CC1 103248571 UIVDPUVZWYLZOT-UHFFFAOYSA-N 424.413 5.676 5 1 HKBF CC(C)(C)c1nc(Nc2ccccc2[N+](=O)[O-])sc1Cc1ccc2c(c1)OCO2 1772624892 CSMKJBHELTWPHX-UHFFFAOYSA-N 411.483 5.412 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3cnccc3[nH]2)ccc1Sc1nc2ccccc2s1 587037087 DKXJEILGUIVOHR-UHFFFAOYSA-N 405.464 5.294 5 1 HKBF Cc1cc(N(C)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c([N+](=O)[O-])cc1F 587137355 WHPYKLVKWODQAU-UHFFFAOYSA-N 406.417 5.347 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Cl 587783961 KCBIGWQWYHVDMO-DHZHZOJOSA-N 405.841 5.874 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169337972 NNJWHZXKTKFJFJ-HRAATJIYSA-N 407.863 6.231 5 1 HKBF Cc1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1[N+](=O)[O-] 587050383 JOFWGIITZRZQMI-UHFFFAOYSA-N 413.864 6.920 5 1 HKBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587108589 DIJHAIGZORFNCQ-UHFFFAOYSA-N 408.339 5.043 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337890 BWQBSWVZLDQIPD-FOIQADDNSA-N 408.756 6.519 5 1 HKBF CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1OC(F)F 587131391 ZONOSFYSWWFXRK-GQCTYLIASA-N 409.776 5.295 5 1 HKBF COc1cccc(-c2cc(-c3cccc(O)c3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587362238 FUAMCKRIVGHWNP-UHFFFAOYSA-N 412.401 5.937 5 1 HKBF COc1ccc2c(c1)[C@@H](c1ccc(-c3ccc(C)c([N+](=O)[O-])c3)o1)N(C(C)C)CC2 962087480 FDFNSTRNJOHROU-DEOSSOPVSA-N 406.482 5.528 5 1 HKBF COc1cccc2c3c(c4nc5ccccc5c(=O)n4c12)Sc1cc(C)ccc1N3 1857636375 JKRUMLSKSHBWLR-UHFFFAOYSA-N 411.486 5.526 5 1 HKBF CC(C)c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(O)c(C(C)C)c1 586896792 PVWJZFVPLSTUPW-UHFFFAOYSA-N 418.291 5.853 5 1 HKBF O=c1oc2cc(Cl)c(Cl)cc2c2oc3ccc4c(c3c12)CN(CC1CC1)CO4 1772586098 HAJRWZLOUOYWHE-UHFFFAOYSA-N 416.260 5.561 5 1 HKBF O=c1cc(COc2ccccc2)n(C2CC2)cc1Oc1cccc([N+](=O)[O-])c1Cl 473121440 PNMVEXUEDWTPBF-UHFFFAOYSA-N 412.829 5.116 5 1 HKBF Clc1ccc(CN2CCC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587075250 GYAOXMFBSOWNOP-QHCPKHFHSA-N 413.912 5.650 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Cl 587159153 KLKQYYMUGCLEIZ-UHFFFAOYSA-N 407.792 5.270 5 1 HKBF O=Cc1c2ccccc2c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587523470 JCQZQROWBJUMPJ-SANMLTNESA-N 406.481 6.391 5 1 HKBF C[C@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc3cccc([N+](=O)[O-])c3)c2c1 35079441 UYCVWZAESFUVLA-ZDUSSCGKSA-N 408.841 5.593 5 1 HKBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587044696 PFBMVBJMMLHELC-UHFFFAOYSA-N 423.299 6.860 5 1 HKBF CNc1cccc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587233196 KGQQYNQHUXAIBO-UHFFFAOYSA-N 401.473 6.035 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c2c1 587644995 UAMTWVXGGBWGOK-UHFFFAOYSA-N 417.679 7.370 5 1 HKBF O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 5545778 BAIPJRVPJMGIOF-NDENLUEZSA-N 418.840 5.053 5 1 HKBF Cc1c(-c2cc3c4c(cccc4n2)CC3)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-] 587210460 CJUIKXWDAVLELZ-UHFFFAOYSA-N 405.454 5.731 5 1 HKBF COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 95583507 RSDNDYPKGGRERR-UHFFFAOYSA-N 423.812 5.317 5 1 HKBF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc4ccc5cccc6ccc1c4c56)CN32 100812964 ANLHBKWHZRLXRB-DJXSYPHMSA-N 407.513 5.623 5 1 HKBF CCOc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 587097498 JNPWJUPJPMMNAR-UHFFFAOYSA-N 410.429 5.729 5 1 HKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])ccc3O)nc3c2oc2ccccc23)c1 587362677 JGAZUSVLLZWKKR-UHFFFAOYSA-N 412.401 5.937 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)O2 587410728 WTTVAZKAQMJQAC-NRFANRHFSA-N 420.490 5.484 5 1 HKBF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82174625 OSFUAZSCXBUDLS-OKILXGFUSA-N 423.542 5.274 5 1 HKBF Cc1cc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2cc1[N+](=O)[O-] 587138369 GJODXLYZLZBJQU-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644991 TWLTZELUSIDBDM-HXUWFJFHSA-N 420.852 5.701 5 1 HKBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280591 LAWYBSHJHXMKFS-UHFFFAOYSA-N 402.771 5.348 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)CC2=O 587472551 JOURUJZQGYSGDF-JOCHJYFZSA-N 404.422 5.021 5 1 HKBF COc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 137771298 BADPCIYVWPQSSV-UHFFFAOYSA-N 401.440 5.025 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(C(F)(F)F)cccc12 169337746 BGRYFOTVYRZUPY-MGPUTAFESA-N 407.863 6.231 5 1 HKBF O=C1C[C@](c2c[nH]c3ccc([N+](=O)[O-])cc23)(C2CCC2)Oc2c1ccc1c2CCCC1 587512111 KZSVDISJGUXLIH-RUZDIDTESA-N 416.477 5.616 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Cl 587077345 VFXARBRYFYSJJQ-UHFFFAOYSA-N 401.209 5.213 5 1 HKBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587079027 FNZLZLBOWZDZKY-HNNXBMFYSA-N 412.884 5.037 5 1 HKBF CCCCOc1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1Br 587270664 PZXULEHRSUXHIN-UHFFFAOYSA-N 418.291 5.198 5 1 HKBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587047950 CZOKYMHHVFURDW-UHFFFAOYSA-N 413.908 6.784 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103915566 JFVMCFNDZFLTQI-IQGLISFBSA-N 411.461 6.224 5 1 HKBF CCCc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=C[C@@H](c2ccccc2)O1 169342980 PVEWWODPQWZMDF-KRWDZBQOSA-N 403.390 5.547 5 1 HKBF Cc1cc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2cc1[N+](=O)[O-] 587032461 TUTAVLNXAKXELV-UHFFFAOYSA-N 403.261 5.006 5 1 HKBF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1 587072522 RMNWXTWFBLOILY-SSFHCAQBSA-N 403.269 5.539 5 1 HKBF Cc1cc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1[N+](=O)[O-] 587129150 SKZYGCWSIUFIRC-ZCFIWIBFSA-N 405.739 5.114 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587749418 XXCJDFWQZNJPJL-STTCBCKDSA-N 405.267 5.175 5 1 HKBF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CO 2356706552 KFYFZUCZWABBBS-UHFFFAOYSA-N 418.665 8.681 5 1 HKBF CSc1sc(-c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)c2c1C(=O)CCC2 28344700 GVOJAKSFDOOPAL-UHFFFAOYSA-N 418.525 5.159 5 1 HKBF O=[N+]([O-])c1cccc(N2[C@H](c3ccccc3)[C@@]23C(c2ccccc2)=Nc2ccccc23)c1 103276127 IFPSMIWBFPNEMM-PNDVLSOFSA-N 417.468 6.186 5 1 HKBF O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587279859 DWDQMAGFQRHWMB-UHFFFAOYSA-N 403.234 5.610 5 1 HKBF FC(F)(F)c1nn(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c2c1CCCC2 587119847 ILFPLMNIOAIZHO-UHFFFAOYSA-N 420.438 6.012 5 1 HKBF CCC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335713 MDTADCBAMRIWOK-ISKFKSNPSA-N 421.424 5.494 5 1 HKBF CN(CCCCOc1cc(O)c2c(=O)c3ccccc3sc2c1)Cc1ccccc1 1772643187 GHNNKEXXKFXTFK-UHFFFAOYSA-N 419.546 5.411 5 1 HKBF Oc1ccc2ccccc2c1-c1cc2nc3c(O)nc(S)nc3nc2c2ccccc12 72110834 IIWYMTBJOVQMLA-UHFFFAOYSA-N 422.469 5.246 5 1 HKBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 103233987 KKFYYJJGCQWZED-XRMCVISESA-N 405.389 5.637 5 1 HKBF CCc1ccc(O)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)c2ccc(Cl)cc2)c1 587644419 CBHXJVOXWCHZPG-UHFFFAOYSA-N 420.852 5.896 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587745482 HITUBRLVFMUQNJ-BLVKFPJESA-N 407.283 5.074 5 1 HKBF CCC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C=CC(C)(C)O2 2356597602 NUZHZASQXOJABW-UHFFFAOYSA-N 408.450 5.146 5 1 HKBF Cc1ccc2c3c(cc(-c4cc(Cl)cc([N+](=O)[O-])c4O)nc13)-c1ccccc1C2=O 586993465 NUMUQOIRGZHGHE-UHFFFAOYSA-N 416.820 5.689 5 1 HKBF COc1cccc(-c2c(C)c(-c3cccc([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587363942 XMUDMDJNWQAPMO-UHFFFAOYSA-N 410.429 6.540 5 1 HKBF O=C(c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645297 ORHCJOYUYLVNAU-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF Cc1c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980247 UEZNQXBIQFRCGS-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccc(Cl)c3)c([N+](=O)[O-])c1)O2 587379441 UXIULBUFOICJLF-NRFANRHFSA-N 424.840 5.638 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)CC2=O 587470148 IRGZLDBYEBROEE-QHCPKHFHSA-N 403.434 5.626 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]c2c1 587645135 WYXXLHRXWUOKKR-UHFFFAOYSA-N 417.679 7.370 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587749220 CTZWCGPJAAPOSM-FVSLFUMASA-N 417.278 5.341 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3nc3ccccc23)N1 587777499 IGYFKABBNHGYLE-ZLOXQWCVSA-N 421.313 5.913 5 1 HKBF Cc1cc(-c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 98082317 VSIMQGNTXCYRQT-UHFFFAOYSA-N 421.460 5.609 5 1 HKBF O=[N+]([O-])c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Cl 586976519 GDQWAYKELYKOME-UHFFFAOYSA-N 417.046 5.119 5 1 HKBF O=C(Nc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1)c1ccc(F)cc1 587162879 KNZOIRQOCJBHMN-UHFFFAOYSA-N 410.792 5.183 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)o1 587265965 VDSCAQYWJJFEMG-UHFFFAOYSA-N 418.634 5.814 5 1 HKBF COc1cc(C[C@@H](O)c2ccc(-c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])cc1OC 653708492 QBQMTSSRBGPJFF-HXUWFJFHSA-N 413.857 5.209 5 1 HKBF O=C(c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132893 KIVVILIESPRMGP-UHFFFAOYSA-N 411.223 5.336 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587753601 VWNZPSSIWSVPCP-ODXCJYRJSA-N 421.310 5.224 5 1 HKBF C[N+](C)(CCCN1c2ccccc2Sc2ccccc21)Cc1ccccc1Cl 40592476 FFSCGJXXTOGKSB-UHFFFAOYSA-N 410.006 6.609 5 1 HKBF Cc1cc2c(Br)ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2o1 587004773 ZZTUJEVWOQQECE-UHFFFAOYSA-N 406.623 5.609 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)Cc2ccccc2[N+](=O)[O-])N1 587749827 ZNGXJNTWAAHURD-VFGMZZLHSA-N 421.310 5.125 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751294 LYIOFHMTBCFELK-DGIBIBHMSA-N 419.250 5.040 5 1 HKBF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2cc3ccccc3cc12 1857570609 FAHOTTRIEKWQLF-PKNBQFBNSA-N 418.491 5.017 5 1 HKBF O=C(c1ccccc1C(F)(F)F)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645790 CZWHIQVKCULHTH-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF COc1ccc2c3ccc4cc5c(cc4c3n(C)c(-c3ccccc3)c-2c1=O)OCO5 26383228 FAJGVDZIVGMOHH-UHFFFAOYSA-N 409.441 5.201 5 1 HKBF COc1ccc2c(c1)C(=O)c1c-2c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(F)cc12 299823785 VDZVSNPXMIVNMB-XBXARRHUSA-N 416.364 5.266 5 1 HKBF COc1ccc2nc3c(C)c4ccn(COC(=O)c5ccccc5)cc4c(C)c3c2c1 377841348 DGXVADSXMPTJAF-UHFFFAOYSA-N 410.473 5.783 5 1 HKBF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329932 AXUPPWAZSMRDQA-FYYLOGMGSA-N 407.397 5.022 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333046 HKROALVECPZEKG-JTHBVZDNSA-N 407.397 5.022 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])s1)CC2=O 587496472 YBIGYDLUISKFJO-IBGZPJMESA-N 409.463 5.688 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2c2ccccc12 587603651 QKQBUJOMPAVZIS-NAKRPHOHSA-N 418.448 6.402 5 1 HKBF COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644380 ABKFNZZYNREBAU-UHFFFAOYSA-N 422.824 6.010 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750101 GKYOCOSAVRWLQA-NSPYISDASA-N 415.262 5.273 5 1 HKBF O=C(c1c2ccccc2cc2ccccc12)N1c2ccccc2Sc2ccccc21 28826861 GEDDVJWUHICGPI-UHFFFAOYSA-N 403.506 7.436 5 1 HKBF in-vivo O=[N+]([O-])c1cc(/C=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl 587048874 ZPSKHZVNQDEKIM-RQOWECAXSA-N 414.593 5.336 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060413 LPDIKVQJRVFSOJ-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587070224 RCIZRTJDQZDEOY-SECBINFHSA-N 422.666 5.264 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc([N+](=O)[O-])c1 587136025 VRXHIVPMCFNYEI-UHFFFAOYSA-N 417.227 5.954 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3c3ncccc23)N1 587778259 JAYOXSLWLNSPLN-AMXDTQDGSA-N 422.301 5.308 5 1 HKBF O=C1c2ccccc2-c2cc(CSc3ccccc3[N+](=O)[O-])nc3ccc(O)c1c23 586993841 JRXKKDSEYJLBEA-UHFFFAOYSA-N 414.442 5.352 5 1 HKBF Cc1nn(Cc2ccccc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-] 587264708 JVHYIBBSGOQUHP-UHFFFAOYSA-N 416.268 5.307 5 1 HKBF c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCc2cscn2)c1 587029038 FKHJYTYIDGQTRT-UHFFFAOYSA-N 409.474 5.362 5 1 HKBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)c12 45391026 OTQAKMXMRGOUFP-IAGOWNOFSA-N 422.527 5.088 5 1 HKBF O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)c1 299867553 QGPIDTDUFNTKBL-UHFFFAOYSA-N 416.315 5.451 5 1 HKBF Cc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074036 PEFXWHJMHNRCSY-UHFFFAOYSA-N 423.907 6.138 5 1 HKBF Cc1cc(Br)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587137926 SLQJXOYKZIHZPM-UHFFFAOYSA-N 407.246 5.536 5 1 HKBF Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280260 PZEGYVULYYGBSF-UHFFFAOYSA-N 417.204 5.842 5 1 HKBF CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)SC12c1ccccc1Oc1ccccc12 40976905 DLHMWYOYROCWSF-UHFFFAOYSA-N 417.446 5.058 5 1 HKBF O=c1c2c(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c12 45367828 DUXFZXRFGYRKQM-HZPDHXFCSA-N 422.527 5.088 5 1 HKBF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)CC2=O 587473235 RLPNSXKHEOXQPJ-VWLOTQADSA-N 417.461 5.356 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3c2[N+](=O)[O-])N1 587750426 IBWQOFUKXPCWBM-WYRIXSBYSA-N 415.262 5.273 5 1 HKBF CC(C)=CCCC(C)=CCCC(C)=CCC(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@@H]12 2356314551 UMAWGIQJLCNKLK-VBOOUTDYSA-O 401.659 5.931 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc([N+](=O)[O-])cc3)o1)CC2=O 587471511 SGSPTOMBRSLOMT-JOCHJYFZSA-N 423.421 5.131 5 1 HKBF O=C(c1cccc(C(F)(F)F)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646349 PNNFGGSHIHEGNP-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(Cl)cc(Br)c1 587941793 VRAJHOPYEAGUKN-JTQLQIEISA-N 417.687 5.028 5 1 HKBF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2c2ncc(-c4cccc([N+](=O)[O-])c4)s2)N3C)cc1 14978621 UYCWPYLNAMMOLO-NQAVQENRSA-N 419.550 5.761 5 1 HKBF CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCCCC1)O2 39318372 CXVPTTMZYCXJSR-UHFFFAOYSA-N 414.351 5.218 5 1 HKBF COc1ccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)cc1 40566108 KXVPSIPGJIXICF-UHFFFAOYSA-N 416.484 6.331 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C 84712290 ADXRPHWEPZSVMV-KRWDZBQOSA-N 423.004 6.456 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1nc2ccc(Cl)cc2c2c1c1ccccc1n2C 169309486 LRJSRBAIDKBLCY-KRWDZBQOSA-N 423.004 6.456 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 587011297 NDQBQPKCAAYYPC-UHFFFAOYSA-N 407.476 6.238 5 1 HKBF Cc1c(Cl)ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12 587053087 AWKIMUYXEBPKMA-MRXNPFEDSA-N 421.284 5.213 5 1 HKBF CC/C(C)=C/Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N[C@@H]4O 1857551885 SABAZEMUHHFDSG-BPWUHNBSSA-N 409.489 5.589 5 1 HKBF O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587279807 BFVYYTFZBMTVRY-UHFFFAOYSA-N 417.261 5.804 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncccc3[N+](=O)[O-])cc1)CC2=O 587472313 GBDILYYDWAOPCS-OAQYLSRUSA-N 404.422 5.021 5 1 HKBF O=C(c1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])s1 40411058 CGBWPYCVSBGLTP-UHFFFAOYSA-N 409.854 5.393 5 1 HKBF Cc1ccc(Nc2nnc(Nc3nc(-c4ccc([N+](=O)[O-])cc4)cs3)s2)cc1 103203584 UPQVEIIRJATSOD-UHFFFAOYSA-N 410.484 5.365 5 1 HKBF Cc1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)c1Br 586979659 SZVLMCUAPYKHOM-UHFFFAOYSA-N 402.295 6.311 5 1 HKBF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586983381 ZYONLRKKNHTTLE-CQSZACIVSA-N 402.292 5.606 5 1 HKBF COc1cccc(C2(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CCCC2)c1 587929976 BMMMALCHJCLCHG-UHFFFAOYSA-N 416.275 5.102 5 1 HKBF O=c1oc2ccccc2c(Nc2ccc3c(c2)Sc2ccccc2O3)c1[N+](=O)[O-] 5597011 LAMZEUIOTMVVRV-UHFFFAOYSA-N 404.403 5.702 5 1 HKBF COc1ccc(-c2sc3ccccc3c2C(=O)c2ccccc2OC)c([N+](=O)[O-])c1 45353080 SNVWYAONQUVLSQ-UHFFFAOYSA-N 419.458 5.725 5 1 HKBF Cc1ccc(O)c(C(=O)c2ccc(-c3cc4c(ccc5ccccc54)oc3=O)nc2)c1 98085078 FQMNZHOAVFPAGR-UHFFFAOYSA-N 407.425 5.253 5 1 HKBF COc1cccc(C(=O)c2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)c1 587933267 WWZAHOLSVBNQEI-UHFFFAOYSA-N 407.813 5.031 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccc(OC)c(OC)c3)c2c1 653711449 IXSWHUQNCXFYSK-UHFFFAOYSA-N 408.885 5.101 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 963221666 ARKBTJHYBZGASI-XDHUDOTRSA-N 406.551 6.243 5 1 HKBF N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(Cc3ccc(C(=O)O)cc3)c-2c1 377799861 OLACXKVLJQZNCD-UHFFFAOYSA-N 419.484 5.221 5 1 HKBF Cc1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1[N+](=O)[O-] 587054834 CIDRAASMCRWMLV-UHFFFAOYSA-N 418.236 5.925 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4ccc5ccccc5c4c3)nc3cccc1c23 587207542 NADOXXHERYKOHH-UHFFFAOYSA-N 407.472 7.420 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)ccc1Sc1nc2ccccc2s1 587037052 DDYPPTSPIWASRN-UHFFFAOYSA-N 404.476 5.899 5 1 HKBF Fc1c(F)c(F)c(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)c(F)c1F 587135207 WDLGAMKPGQRENJ-MDZDMXLPSA-N 410.345 6.735 5 1 HKBF Cc1cc(N(C)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137383 XODLZMBODLZJDT-UHFFFAOYSA-N 414.384 5.167 5 1 HKBF O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)c1cc([N+](=O)[O-])ccc1O 29212413 DSCNZRYZPIJINU-UHFFFAOYSA-N 418.327 5.364 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 34804444 NCCLNBUKCHLTBH-UHFFFAOYSA-O 424.417 5.718 5 1 HKBF C[C@H](Cc1cccc(C(F)(F)F)c1)NCCc1c2ccccc2nc2ccccc12 45367284 RDWJWBQMJVBZRY-QGZVFWFLSA-N 408.467 6.170 5 1 HKBF FC(F)(F)c1nc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2[nH]1 587120182 BKPOMOZRDZGBRM-UHFFFAOYSA-N 404.355 5.221 5 1 HKBF Cc1cc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2cc1[N+](=O)[O-] 587138362 GGHHWBGEGHVMNI-UHFFFAOYSA-N 409.348 5.090 5 1 HKBF Cc1c(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1C 587268637 AGSNVAVCLIAOMZ-UHFFFAOYSA-N 415.291 5.118 5 1 HKBF COc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 587363554 UAHUATMKUSWKRY-UHFFFAOYSA-N 412.401 5.937 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o1)[C@@H](C2)C3=O 587420729 IJXJFZNMPWREKM-ZSEKCTLFSA-N 411.797 5.006 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2=O 587464315 OBVKCWLZBXCEMR-FQEVSTJZSA-N 423.387 5.238 5 1 HKBF O=C1C[C@@H](c2cc([N+](=O)[O-])c(Br)cc2F)Oc2c1ccc1c2CCCC1 587509258 XYGUNCPOQGVNOC-SFHVURJKSA-N 420.234 5.082 5 1 HKBF Cc1ccc(O)c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)c2ccc(Cl)cc2)c1 587644871 PFULSALSPASIAZ-UHFFFAOYSA-N 406.825 5.642 5 1 HKBF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c5ccccc5c5ccccc5c4[nH]1)(C3)C2 587951395 UHIYATKYHGNMHS-SDNPYZKWSA-N 410.517 6.023 5 1 HKBF O=c1oc2c3ccc4ccccc4c3n(Cc3nc4ccccc4[nH]3)c2c2ccccc12 12942353 WLAJEDLXELFTBF-UHFFFAOYSA-N 415.452 5.979 5 1 HKBF Cc1cc(-c2cccc([N+](=O)[O-])c2)cn2c(CSCCc3ccccc3)cnc12 28877423 PERFCFDYLFNXLN-UHFFFAOYSA-N 403.507 5.694 5 1 HKBF COc1ccc([C@@H](C)n2c(-c3ccc(C)cc3)cc(=O)c3cc([N+](=O)[O-])ccc32)cc1 1772651164 VYUYEZXSRUWWEC-QGZVFWFLSA-N 414.461 5.503 5 1 HKBF O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 13118813 DVVOTUXKOYRRNA-IDPBPBMLSA-N 417.509 5.448 5 1 HKBF CC(=O)n1c2ccccc2c2nc3nc(Oc4ccc(C)cc4)c4ccccc4c3cc21 13221152 RPRQZWRFCSOCFL-UHFFFAOYSA-N 417.468 6.652 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)cnc2[nH]1 586968749 ISXXMOVCJDDFDJ-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF CCC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335723 MDTADCBAMRIWOK-UPVQGACJSA-N 421.424 5.494 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cn3)cc1)CC2=O 587469872 HQZLJDXCQCBVDU-QFIPXVFZSA-N 404.422 5.021 5 1 HKBF O=[N+]([O-])c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 13518670 FTTUOZCBLQBLGS-UHFFFAOYSA-N 401.319 5.216 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)o1 587265010 KWFONQFPDVXLMP-UHFFFAOYSA-N 411.417 5.977 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O 587417188 AFZDFUWTSXNEOW-LHSJRXKWSA-N 411.797 5.006 5 1 HKBF Nc1c2c(nc3c1[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc4cccnc4c1O3)CCCC2 1772625406 NCIGNKPCYCBEJN-HXUWFJFHSA-N 424.460 5.285 5 1 HKBF N=c1cc2n(-c3cccc4ccccc34)c3ccc4ccccc4c3nc-2c2ccccc12 199827097 IQJGPUYSMZZKDO-UHFFFAOYSA-N 421.503 7.069 5 1 HKBF Cc1cc(Cl)ccc1OCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587065853 ACVJHALTKAFNEQ-UHFFFAOYSA-N 402.885 5.633 5 1 HKBF C[C@@]1(CSc2ccccc2[N+](=O)[O-])c2ccsc2CCN1Cc1cccnc1 962996359 JEOHSUHJKNYUDH-OAQYLSRUSA-N 411.552 5.117 5 1 HKBF COc1c(CC=C(C)C)c(OC)c2c(=O)c3cccc(O)c3n(C)c2c1CC=C(C)C 95909929 LAJGGIIHEGCTCN-UHFFFAOYSA-N 421.537 5.432 5 1 HKBF biogenic,in-vitro CCCCCCN(CCCCCC)C[C@@H](O)c1cc2ccccc2c2ccccc12 100690880 JFJMKBYSQFAIPR-MUUNZHRXSA-N 405.626 7.489 5 1 HKBF Cc1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1[N+](=O)[O-] 587060164 CUIVOQNBASGAFS-UHFFFAOYSA-N 414.852 6.315 5 1 HKBF O[C@H](c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12)[C@H]1CCCCN1 1591933 FUXMBPSLHZVANC-RCZVLFRGSA-N 402.925 5.884 5 1 HKBF COc1ccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 587097457 ICOHOHUMGQYWEB-UHFFFAOYSA-N 410.429 5.262 5 1 HKBF CC(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] 587747840 QKTJFIAXSAZMCT-WLRWDXFRSA-N 407.283 5.243 5 1 HKBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(OC(C)C)ccc1OC(C)C 587942796 ARPQQKJMZUPREU-UHFFFAOYSA-N 415.259 5.170 5 1 HKBF CCN(CC)C(=S)S[C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 49802747 QZRHSIIGCWAZSB-IBGZPJMESA-N 402.541 5.269 5 1 HKBF Cc1c(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cccc1[N+](=O)[O-] 587512542 YNHXOFZNOWAYHX-HSZRJFAPSA-N 402.450 5.279 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 29205994 OSMONFDUBXBRCP-KRWDZBQOSA-N 422.533 5.204 5 1 HKBF Nc1ccc(-c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)cc1N 587048340 SSHNGWVZJAUYAW-WAPJZHGLSA-N 405.845 5.126 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C)cc3[N+](=O)[O-])o1)CC2=O 587468182 BQNBNNMSABZXSC-QFIPXVFZSA-N 407.422 5.528 5 1 HKBF Cc1ccc([C@@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857649275 CAUBJEVILCXFGX-QFIPXVFZSA-N 404.491 5.674 5 1 HKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NC1CCCCC1 775606 ICMYUKJRCWMOCY-UHFFFAOYSA-N 405.882 5.263 5 1 HKBF c1ccc(Oc2ccccc2Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587950767 UQEBUTKBXNTGCL-UHFFFAOYSA-N 402.457 6.042 5 1 HKBF COc1ccc(C(=O)CCc2cccc([N+](C)(C)Cc3ccccc3)c2)cc1OC 13586893 BEAHCIYYNAZUDK-UHFFFAOYSA-N 404.530 5.286 5 1 HKBF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc2c(ccc3ccccc32)c1 95573982 HYIRZIIIRWRYFS-QFIPXVFZSA-N 412.441 5.135 5 1 HKBF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587051965 WMVOVDBYLZMGFQ-ROUUACIJSA-N 403.312 7.447 5 1 HKBF COc1cccc(-c2cc(-c3ccc(N)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 587362771 NDDKMQOLMIIQLZ-UHFFFAOYSA-N 411.417 5.814 5 1 HKBF O=C1C[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)Oc2c1ccc1c2CCCC1 587507400 PSLIKUIPXGFPPM-QFIPXVFZSA-N 422.868 5.624 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/C=C/c2ccc([N+](=O)[O-])cc2)N1 587751239 LQNGPXIPYZXHPE-REZSNFNYSA-N 417.278 5.341 5 1 HKBF CCc1cnc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccc([N+](=O)[O-])cc2)s1 82174119 AQZMZEFXIWVQRU-UHFFFAOYSA-N 421.482 5.251 5 1 HKBF CC(C=CC=C(C)C1=C[C@@H]2C(C)(C)C[C@@H](O)C[C@]2(C)O1)=CC=CC=C(C)C=CCO 2356663342 BNPIIBPBTJTVJW-HYZYYIOASA-N 410.598 5.956 5 1 HKBF O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c12 45368322 PATZGIQBOIKCNK-HOTGVXAUSA-N 422.527 5.088 5 1 HKBF O=C(O)c1cc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)nc2ccc(F)cc12 96927272 OUDFTIVJONPIJZ-UHFFFAOYSA-N 404.353 5.440 5 1 HKBF Cc1cc(N(C)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c([N+](=O)[O-])cc1F 587136980 NCALKTVYLPUQQJ-UHFFFAOYSA-N 420.444 5.134 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1c3ccccc3c(C=O)c3ccccc13)CC2=O 587486062 WWLINZWFMKCJQD-VWLOTQADSA-N 410.469 6.170 5 1 HKBF CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943831 PTVGMWTXGDMZPK-CQSZACIVSA-N 416.424 5.558 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(Cl)c1 962642958 OVEVSUOFNNZPRW-GBXCKJPGSA-N 419.912 5.085 5 1 HKBF CC(C)CN(C(=O)c1cccs1)c1c2ccccc2c(=O)n2c1[nH]c1ccccc12 1857768638 LREVQBZWMNVTEK-UHFFFAOYSA-N 415.518 5.298 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 95589588 TUQJSPDNCATTQH-LXGWOEDASA-N 413.521 6.843 5 1 HKBF C=C(c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)c1sc(S)nc1O 169694739 CZKKMMIITBLUNN-UHFFFAOYSA-N 402.522 5.567 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c12 586899127 UKTLYCAVROOEHG-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF CCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Br 586977734 RCGVTCRIYTUVAH-UHFFFAOYSA-N 401.307 6.861 5 1 HKBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2cc1Cl 587063372 LPOMYHPZVZCKIY-UHFFFAOYSA-N 414.248 6.024 5 1 HKBF O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587071001 KTDIIWQIMXZQCR-IZZDOVSWSA-N 405.841 5.874 5 1 HKBF Fc1ccc(-c2ccccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F 587145809 RPMIFTMPLNGJHL-UHFFFAOYSA-N 406.435 7.482 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)cc2)cc1 587272168 OSQSKBCEOWZPLF-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1 587644387 AIJOYLNCQHMLRF-UHFFFAOYSA-N 420.852 5.896 5 1 HKBF O=[N+]([O-])c1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)c1 103915717 BRGUXORVNQGJDT-CJAUYULYSA-N 411.461 6.224 5 1 HKBF CC(C)n1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 169337110 JKKPFWORWQCCMF-UHFFFAOYSA-N 403.322 5.048 5 1 HKBF Fc1c(F)c(F)c(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(F)c1F 587134518 MHPBYADBEBOWTM-WAYWQWQTSA-N 412.321 5.525 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)Oc2c1ccc1c2CCCC1 587530783 HOTGSUUJDPLJOO-FQEVSTJZSA-N 405.475 5.909 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc(Br)c4[nH]3)c2)cc1 587273392 SORNQQQVTWOTTD-UHFFFAOYSA-N 410.227 5.693 5 1 HKBF O=[N+]([O-])c1ccc(Cn2cc(CN3c4ccccc4Sc4ccccc43)nn2)cc1 1857592533 YOUNXQCROAJXDF-UHFFFAOYSA-N 415.478 5.038 5 1 HKBF Cc1ccc(Nc2cc(C)c3nc4cc(C)c(N)cc4[n+](-c4ccc(C)cc4)c3c2)cc1 263614430 KAXCJIYHQZDDPZ-UHFFFAOYSA-O 419.552 6.224 5 1 HKBF in-vitro CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(-c3ccccc3[N+](=O)[O-])c2c1 587641820 HOYJYZNDYQYGHA-MRXNPFEDSA-N 400.478 6.932 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)c2c1 587642540 MIKMZJRRWHUELL-HNNXBMFYSA-N 410.477 6.800 5 1 HKBF O=[N+]([O-])c1ccc(Br)cc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962671261 WXRCXMYAHFKTJZ-OAQYLSRUSA-N 409.283 5.259 5 1 HKBF Cc1ccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 587340944 XIODCLKLQNJLOP-ISKFKSNPSA-N 421.424 5.108 5 1 HKBF O=C1C[C@H](c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)Oc2c1ccc1c2CCCC1 587513943 VRAKWLCTVUMBJC-XMMPIXPASA-N 415.445 5.972 5 1 HKBF COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587645130 WWPSJQFVTOEMFS-IBGZPJMESA-N 420.852 5.701 5 1 HKBF CCOP(=O)(OCC)[C@H](NCc1ccco1)c1c2ccccc2cc2ccccc12 73196988 FPWZBZBGGXEWGK-DEOSSOPVSA-N 423.449 6.641 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c12 586898782 OGDOGXDRMOTIIK-UHFFFAOYSA-N 410.227 5.273 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587110232 XBWAVOHKAFFWGK-UHFFFAOYSA-N 423.354 5.177 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)CC2=O 587473233 RLPNSXKHEOXQPJ-RUZDIDTESA-N 417.461 5.356 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1 103915556 JFVMCFNDZFLTQI-BVZFJXPGSA-N 411.461 6.224 5 1 HKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 586981454 CUZRPMVEATUOAJ-ZDUSSCGKSA-N 403.280 5.001 5 1 HKBF Cc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c3cccc(Cl)c3n2)o1 587083450 UWVIVXLNNAELJX-UHFFFAOYSA-N 418.840 6.217 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2)c1 587269374 BNFLKDLXBZNNSP-UHFFFAOYSA-N 400.316 5.099 5 1 HKBF C[C@@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1 40592518 HGTMTNHJEUDSIB-SFHVURJKSA-N 420.558 5.863 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587109322 HQDKFPMWZLOHKG-UHFFFAOYSA-N 423.354 5.177 5 1 HKBF COc1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260708 ASXDQTRLWQQPTQ-UHFFFAOYSA-N 407.451 5.307 5 1 HKBF O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644715 LDAHZTRHKYRRSL-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF CCCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1772587593 IYOQRDPWABOLLS-UHFFFAOYSA-N 403.438 5.052 5 1 HKBF CN(C)c1ccc(NC(=O)c2cc3c4ccccc4[nH]c3c3c2[nH]c2ccccc23)cc1 1857617249 KGCDTPKRPVGRJZ-UHFFFAOYSA-N 418.500 6.274 5 1 HKBF CC(C)C(=O)c1c(Nc2cc(F)cc(F)c2)nc2c(Cl)ccc([N+](=O)[O-])c2c1O 84604459 PHVMAWFFHOWULI-UHFFFAOYSA-N 421.787 5.363 5 1 HKBF COc1cccc(-c2ccc3nc(C(=O)O)c4c5cccc(Cl)c5[nH]c4c3c2)c1 473110120 VCFPJHJKTXRDGD-UHFFFAOYSA-N 402.837 5.897 5 1 HKBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2c1c(Br)cc1n[nH]cc12 587622913 JTWZXPZBLSSAPI-UHFFFAOYSA-N 410.231 5.172 5 1 HKBF COc1ccc(-c2cc3ccccc3c3nc(N)c4ccccc4c23)c(OC)c1OC 28466458 KWXWKOIDNARNDI-UHFFFAOYSA-N 410.473 5.816 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1F 587069465 DIWFGGNUFUGPCY-TWGQIWQCSA-N 423.831 6.013 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587084595 DHCWJKUWJIPYEA-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)cc1 587272892 XTFSZLZZFKSHOJ-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3cc([N+](=O)[O-])ccc3o2)N1 587751293 LYIOFHMTBCFELK-APBUJDDRSA-N 419.250 5.040 5 1 HKBF O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 84758572 VBGIKDNIBYBJCE-UHFFFAOYSA-N 418.840 5.353 5 1 HKBF Cc1csc(SCc2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)n1 587021173 ITDAWEOTVGDDNM-UHFFFAOYSA-N 400.460 5.334 5 1 HKBF O=[N+]([O-])c1cncc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c12 587081998 BVPYROJGLZNBGQ-UHFFFAOYSA-N 417.812 5.107 5 1 HKBF O=C1C[C@@](c2ccc(F)cc2)(c2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587504171 GGJXBLSUTLTKIH-RUZDIDTESA-N 417.436 5.522 5 1 HKBF O=C1C[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)Oc2c1ccc1c2CCCC1 587531097 JOLKDAQCFGFSMF-HXUWFJFHSA-N 405.475 5.909 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccc3ccccc3c12 587602966 LVCRBPFTLYRLTD-NAKRPHOHSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCC[C@]23c2ccsc2CCN3Cc2cccnc2)cc1 963003964 FCZZEHGIYKXXRL-NZQKXSOJSA-N 405.523 5.273 5 1 HKBF C[C@@]1(c2ccc(-c3ccccc3[N+](=O)[O-])s2)NCCc2c(Cl)cc(Cl)cc21 963112460 POCWQUVBPANZOA-HXUWFJFHSA-N 419.333 6.039 5 1 HKBF Cc1ccc2c3c(cc(-c4ccc(Cl)c([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 586992137 DQARYTMYZXFKIW-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF O=C1[C@@H]2[C@H](c3ccccc3)CC=C[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 103751624 JCFITQHCTOJUNS-QUMGSSFMSA-N 424.500 5.654 5 3 HKBF CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 4757329 VNJJHINWLABKSI-UHFFFAOYSA-N 412.877 5.203 5 1 HKBF O=[N+]([O-])c1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc1 5933284 YONLRMDHVFPVDB-UHFFFAOYSA-N 401.047 5.062 5 1 HKBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587234012 VBMOJDDPRSKLEA-VQTJNVASSA-N 401.510 6.030 5 1 HKBF O=C(c1cc2c(Br)cccc2s1)c1coc2cc([N+](=O)[O-])ccc12 587280810 ZMPKSGOCVJWMPT-UHFFFAOYSA-N 402.225 5.549 5 1 HKBF CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587643632 HHBZQIPUYGGWFL-UHFFFAOYSA-N 400.649 5.187 5 1 HKBF COc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c3oc2cc1O 2356853812 RJIYSCQBSAADCH-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF O=c1c2cc3ccccc3cc2oc2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c12 45391030 OTQAKMXMRGOUFP-SJORKVTESA-N 422.527 5.088 5 1 HKBF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163496 RGVQQUUHDSBQSY-AUUYWEPGSA-N 423.542 5.728 5 1 HKBF CCc1cnc(-c2cnc(NCc3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163814 XPBFCLGIIFGOGH-UHFFFAOYSA-N 417.494 5.350 5 1 HKBF Cc1cc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Br 586975734 FFEVTGUYIIOCBD-UHFFFAOYSA-N 403.283 5.321 5 1 HKBF Clc1nccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Br 586979075 FWUCMJUCDNGHNS-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF Cc1ccc2c3c(cc(-c4c(Cl)cccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 586993340 KOGICISTIHCWCH-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587948807 JBOMVKIOFHDIPY-QEEYODRMSA-N 422.485 5.151 5 1 HKBF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)c([N+](=O)[O-])c1 82154260 FWWJKXMWGZAYHQ-QHHAFSJGSA-N 419.477 5.533 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cc1 587273974 XMCBVTDASPYWCA-UHFFFAOYSA-N 401.756 5.862 5 1 HKBF COc1cc2c3c(c1)O[C@](C)(c1ccc4ccc5cccc6ccc1c4c56)[C@@H](C2)C3=O 587446040 RZENVHZRFDAKMJ-RBISFHTESA-N 404.465 6.255 5 1 HKBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(Cl)cc1Cl 5893118 YIAXSBNLNLHQBR-LJQANCHMSA-N 406.269 5.213 5 1 HKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587411654 UCMDQKWOZUQRDF-OAQYLSRUSA-N 420.490 5.652 5 1 HKBF Cc1ccc(-n2cccc2[C@@H]2c3ccsc3CCN2Cc2ccco2)c([N+](=O)[O-])c1 962704124 IOSVVAOMUOTGPA-QHCPKHFHSA-N 419.506 5.496 5 1 HKBF O=c1c2cc(Nc3cccc(OC(F)(F)F)c3)ccc2[nH]c2cc(F)cc(F)c12 1911578040 LUFQDFLRZHFKKA-UHFFFAOYSA-N 406.310 5.602 5 1 HKBF COc1c(N2CCCCC2)c2c(=O)c3ccccc3oc2c2c3ccccc3n(C)c12 5580096 TXAUWABIWMEWKQ-UHFFFAOYSA-N 412.489 5.590 5 1 HKBF COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 13604467 GGFWHDAQAOAOJJ-DNQXCXABSA-N 416.477 5.330 5 1 HKBF CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1 71317039 JPIUBJORAABACB-KRWDZBQOSA-N 414.782 5.331 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2c3ccccc3nc-2n(C)c2cccc(Cl)c12 101679865 QMKPIRCDPNHNKA-QGZVFWFLSA-N 423.004 6.407 5 1 HKBF COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644619 IFWYXEARFSNUQL-UHFFFAOYSA-N 413.260 6.726 5 1 HKBF Cc1cc2ccn(C)c2c2c3c(c4c5ccc(C(F)(F)F)cc5[nH]c4c12)C(=O)NC3=O 13535042 VAUOKMFVROGLPL-UHFFFAOYSA-N 421.378 5.177 5 1 HKBF Cc1nc(-c2cnc(NC3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163470 QVOCSHRLYIALPS-UHFFFAOYSA-N 409.515 5.537 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2c(Cl)cc(Cl)cc12 169337947 UTOLDRWVHYTLAN-YWZLYKJASA-N 408.756 6.519 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Br)c(O)c2[nH]1 586969418 RLXAXUFNGNXXJG-UHFFFAOYSA-N 422.304 5.354 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)c1 587270747 SDEVGYVKDQXGKZ-UHFFFAOYSA-N 422.444 5.779 5 1 HKBF C[C@]1(CCc2ccccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339359 SXJOKIRNNUVDID-LADGPHEKSA-N 421.424 5.190 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1-c1ccncc1)N2 64539416 VFUZGZRCARGQHE-UHFFFAOYSA-N 416.828 5.259 5 1 HKBF O=[N+]([O-])c1ccccc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103996718 WQGKESVMUDEIBW-SSOJOUAXSA-N 411.461 6.224 5 1 HKBF CCS(=O)(=O)c1cccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586921735 MBIIOGMGAIEISF-UHFFFAOYSA-N 400.503 5.254 5 1 HKBF Cc1csc(SCc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)n1 587020048 DMCUBBNFJDEPMH-UHFFFAOYSA-N 416.915 5.849 5 1 HKBF C[C@@]1(c2cccc(Br)c2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587500685 UPLIEHXHJFJSKI-FQEVSTJZSA-N 416.271 5.117 5 1 HKBF CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644988 TUTNXTNIHBXQKX-UHFFFAOYSA-N 424.196 5.135 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(CCCCCCCCCCCO)[nH]c12 586894488 IFBYHNWWYZGITC-UHFFFAOYSA-N 412.328 5.279 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Cl 587047778 MUHLPJXAUHJHLO-VURMDHGXSA-N 401.813 5.391 5 1 HKBF COc1cccc(-c2cc(-c3cc([N+](=O)[O-])cnc3O)nc3c2oc2ccccc23)c1 587363994 YDYXDEJIECLIEU-UHFFFAOYSA-N 413.389 5.332 5 1 HKBF C[C@H](c1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963097560 GTUYRCALZKFGJL-LZECLLPCSA-N 416.496 5.802 5 1 HKBF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587171110 YSZHGBKGGGFKJP-VIFPVBQESA-N 410.268 5.269 5 1 HKBF CC(=O)Oc1ccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1[N+](=O)[O-] 1857551905 VWBUISFUZJHJIN-DUXPYHPUSA-N 419.220 5.251 5 1 HKBF COc1ccc2c(ccn2CCCCCCCOC(=O)c2cccc([N+](C)(C)C)c2)c1 27087719 JHFQUVUTLZEFHO-UHFFFAOYSA-N 423.577 5.654 5 1 HKBF CC(=O)c1c(Nc2ccc(C)cc2Cl)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 42887411 AWOGCPXUTJBQEG-UHFFFAOYSA-N 406.225 5.410 5 1 HKBF C[C@]1(c2ccccc2[N+](=O)[O-])CC(c2ccccc2[N+](=O)[O-])=Nc2ccccc2N1 53297331 JMJRGERCOBNCCF-JOCHJYFZSA-N 402.410 5.355 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1 103915559 JFVMCFNDZFLTQI-CJAUYULYSA-N 411.461 6.224 5 1 HKBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c21 587031709 AFUXQVHZDLWKNA-LLVKDONJSA-N 423.454 5.338 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C)cc1[N+](=O)[O-])CC2=O 587468046 ADDZHBHOOGWXJU-QFIPXVFZSA-N 406.438 5.059 5 1 HKBF c1ccc(C[C@H](c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587956388 ZGTDSODVUSWEAL-HXUWFJFHSA-N 400.485 6.034 5 1 HKBF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13682752 KXFQYDZSNLZDTN-HXUWFJFHSA-N 413.886 5.720 5 3 HKBF O=c1[nH]c2cc(-c3ccccc3)ccc2c2[nH]c(-c3c(Cl)cccc3[N+](=O)[O-])nc12 96270711 SUERHDHTNGFCPM-UHFFFAOYSA-N 416.824 5.300 5 1 HKBF Nc1nc(-c2ccc(C(F)(F)F)cc2)nc2nc3c(Cl)ccc(Cl)c3nc12 96915911 IJYCJDUHMQOTRU-UHFFFAOYSA-N 410.186 5.148 5 1 HKBF CCn1ccc2c3c(OCc4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)nc3ccc21 473113313 IRBYEEHPLYRSHN-UHFFFAOYSA-N 423.472 6.364 5 1 HKBF Cc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980031 NJBYQOGSGUMWQE-UHFFFAOYSA-N 418.144 5.367 5 1 HKBF Cc1cc(Cl)cc2c(-c3nc4ccccc4[nH]3)c(-c3cccc([N+](=O)[O-])c3)[nH]c12 587626842 ILXJLPYJAQGLSD-UHFFFAOYSA-N 402.841 6.248 5 1 HKBF O=c1c2ccc(OCc3ccc(Cl)cc3)cc2[nH]c2ccc(Cl)c(Cl)c12 1911582198 MWJYGMUFWZETNS-UHFFFAOYSA-N 404.680 6.221 5 1 HKBF CCCCCc1nc(-c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174341 SNFJVRMMDSEWBG-UHFFFAOYSA-N 421.501 5.570 5 1 HKBF CC1(C)[C@@H]2CC[C@@]1(C)[C@H](C[N+](C)(C)Cc1ccc(I)cc1)C2 95561806 LNRBFZRCZYCYEE-UWVAXJGDSA-N 412.379 5.330 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)cc1 587271560 FQWNREBVSCGURY-UHFFFAOYSA-N 410.773 5.492 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1 587272178 OYSBAXWOCKTMKO-UHFFFAOYSA-N 400.221 6.237 5 1 HKBF COc1cccc(F)c1-n1cc(-c2ccccc2Sc2ccc([N+](=O)[O-])cc2)nn1 1857571894 NWBUIYMOBARSID-UHFFFAOYSA-N 422.441 5.141 5 1 HKBF CCCCCN(CCCCC)C[C@H](O)c1cccc2c1cc(Cl)c1ccccc12 169337049 PXBZYULRDXLITH-SANMLTNESA-N 412.017 7.362 5 1 HKBF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587201531 QUFLLUXIKGDCNP-UHFFFAOYSA-N 417.553 6.450 5 1 HKBF O=C1C[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])s2)Oc2c1ccc1c2CCCC1 587531075 JHCZYYGXXGDZNL-FQEVSTJZSA-N 405.475 5.909 5 1 HKBF COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(F)ccc12 587635136 DNHQVVIFNUBEQG-UHFFFAOYSA-N 406.369 5.496 5 1 HKBF CC[C@]1(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)CC(=O)c2ccccc2C1 587962315 XJVXEFKMDGJDSD-AREMUKBSSA-N 406.489 5.427 5 1 HKBF COc1cc2c(=O)c3c(O)c4c(cc3oc2c(CC=C(C)C)c1O)OC(C)(C)C=C4 13382722 PWGBCGORXHHWFX-UHFFFAOYSA-N 408.450 5.059 5 1 HKBF biogenic Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587151504 ZLBRSEALBBASBC-RUZDIDTESA-N 419.463 6.000 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3cccc(F)c3)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 587645871 NBEFUUDWSHUFLF-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF O=C(c1ccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCC1 40933552 NFFQZQCEWIKZPM-UHFFFAOYSA-N 401.466 5.169 5 1 HKBF Cc1onc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1COc1ccccc1Cl 587063385 MATGSGUKMNYACU-UHFFFAOYSA-N 419.224 5.320 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)CC2=O 587470280 JWYARFJYLWLMGY-QHCPKHFHSA-N 403.434 5.626 5 1 HKBF C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857616949 PVNDQIPUEMOUNK-SNVBAGLBSA-N 402.369 5.120 5 1 HKBF CC(C)=CCCC(C)=CCC[C@H](C)C=CC(=O)NC[C@@H]1CC[N@@+]2(C)CCCC[C@H]12 2356319482 IUUKDWXSYSAIGO-WWQFTLRMSA-O 401.659 5.787 5 1 HKBF CC(C)=CCCC[C@]1(C)C=Cc2c(cc3oc4c(O)ccc(O)c4c(=O)c3c2O)O1 2356729300 WKPUEMHXKCHBJW-XMMPIXPASA-N 408.450 5.364 5 1 HKBF CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 14959373 IOCGTVRHMUHZQW-NRFANRHFSA-N 414.549 5.133 5 1 HKBF C[C@H](OC(=O)c1ccccc1Cl)c1cccc2nc3c(C(=O)O)cccc3nc12 29414445 RBPJHVQCUBNCCU-LBPRGKRZSA-N 406.825 5.053 5 1 HKBF COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC 34290496 UNTSJRBZLAUZBX-VBBCTIIMSA-N 408.538 5.899 5 1 HKBF endogenous,in-man COC(=O)c1ccc(-c2c3cccc(OC)c3nc3c2[nH]c2c(OC)cccc23)cc1 71316416 SQTAVXTVQDOFPI-UHFFFAOYSA-N 412.445 5.340 5 1 HKBF O=C1S/C(=C\c2c3ccccc3nc3ccccc23)C(=O)N1Cc1ccc(F)cc1 84712622 YNCXNVOUFHKLHL-XKZIYDEJSA-N 414.461 5.764 5 1 HKBF Cc1nccc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12 587038850 UDIHQVQRGRCJMU-UHFFFAOYSA-N 419.491 5.602 5 1 HKBF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587170581 QUJNYVTXWOQYJS-SECBINFHSA-N 410.268 5.269 5 1 HKBF Nc1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 587251149 ZQDOHYMBHBDIIZ-UHFFFAOYSA-N 409.243 5.150 5 1 HKBF Cc1cc(Br)cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587270288 LIKXRQGUBAZNNC-UHFFFAOYSA-N 409.243 5.271 5 1 HKBF COc1cccc2c(Oc3ccc(COC(=O)NC(C)C)cc3)c3ccccc3nc12 26974268 RXCWYKOCHOFXKG-UHFFFAOYSA-N 416.477 5.824 5 1 HKBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587269028 HPYSMDFISYUPBO-UHFFFAOYSA-N 416.506 5.890 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2nc2ccccc12 587588004 RATZYJWYNQIZNI-IGKIAQTJSA-N 419.436 5.797 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(-c4cccc(F)c4)c(F)c3)c2O)cc1 587943467 CYVOZCFSYZNJJZ-UHFFFAOYSA-N 408.360 5.409 5 1 HKBF CC[C@H]1C[N@+]2([O-])CC[C@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 1772594423 AGLGJFNSMGBVNR-JRULCCLESA-N 418.537 5.077 5 1 HKBF O=C1[C@@H](c2cccc3ccccc23)Oc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 1857640779 FUTGKTZFYDJNMF-XMMPIXPASA-N 410.429 5.415 5 1 HKBF O=C1CCCc2nn(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)c(Cl)c3)c21 73240748 WUOISLGAJWIRSJ-UHFFFAOYSA-N 402.237 5.273 5 1 HKBF COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644896 QGXISWVCDCEZCH-UHFFFAOYSA-N 422.824 6.010 5 1 HKBF O=[N+]([O-])c1ccc([C@H]2CCCCC[C@@]23NCCc2cccc(-c4ccccc4)c23)cc1 962660156 HHIIJAVXFDWUGZ-XNMGPUDCSA-N 412.533 6.351 5 1 HKBF CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587511849 JPTUDRFTKYRXOI-VWLOTQADSA-N 417.461 5.538 5 1 HKBF C[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)CC(=O)c2ccc3c(c2O1)CCCC3 587525950 UJIYPZJOPOXDJW-PMERELPUSA-N 416.520 7.343 5 1 HKBF CCN(CC)CCOc1c2ccc(Cl)cc2nc2c1[nH]c1ccc(Cl)cc12 64540167 MSIKKKKAJABUGM-UHFFFAOYSA-N 402.325 5.897 5 1 HKBF COc1ccccc1Oc1nc2c(c(C)nc3ccccc32)c(=O)n1-c1ccccc1 82148940 DQQTZJULCSTKND-UHFFFAOYSA-N 409.445 5.043 5 1 HKBF Cc1nn(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)c(C)c1Cl 587065482 QLZFVASGSNIONO-UHFFFAOYSA-N 424.895 5.782 5 1 HKBF COc1ccc2[nH]c3cc(Cl)ccc3c(=NCc3ccccc3C(F)(F)F)c2c1 653707151 GZMVNFYCVQROSZ-UHFFFAOYSA-N 416.830 6.103 5 1 HKBF Cc1ccc([C@H]2CC(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc3S2)cc1 1857649274 CAUBJEVILCXFGX-JOCHJYFZSA-N 404.491 5.674 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc([N+](=O)[O-])c1 587136149 DCZDDSMLXIQITQ-UHFFFAOYSA-N 403.457 6.550 5 1 HKBF CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646292 NFWBKFYPMQGRON-UHFFFAOYSA-N 424.400 5.461 5 1 HKBF O=c1c2ccc(OCc3cccc(C(F)(F)F)c3)cc2[nH]c2cc(F)cc(F)c12 1911579398 XOCHZYILBDYWKU-UHFFFAOYSA-N 405.322 5.557 5 1 HKBF Cn1c2ccccc2c2c3c(cccc31)c1ccc(NC(=O)c3ccccc3)cc1[n+]2C 101158236 HLYHONCMXLEVGX-UHFFFAOYSA-O 416.504 5.715 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587859750 HRPDEAYIBFLCDD-UHFFFAOYSA-N 423.212 5.061 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCCCC[C@]23NCCc2cccc(-c4ccccc4)c23)cc1 962660153 HHIIJAVXFDWUGZ-BDYUSTAISA-N 412.533 6.351 5 1 HKBF O=[N+]([O-])c1cccc(-c2nc(NC3CCCC3)ncc2-c2nc3ccccc3s2)c1 82163437 RAMLSJVQFKTORX-UHFFFAOYSA-N 417.494 5.683 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163686 IIDVTURHLVPYBK-GASCZTMLSA-N 423.542 5.220 5 1 HKBF CC(C)(C)OC(=O)NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21 84711799 YFFJZYDSWBTDHO-UHFFFAOYSA-N 405.498 5.393 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)c(Cl)cc2c2cc(Cl)ccc12 169338985 HSHXKUQLSQCFHT-SZNDQCEHSA-N 408.756 6.519 5 1 HKBF c1ccc2nc3cc4[nH]c(-c5c(-n6cccc6)sc6c5CCC6)nc4cc3nc2c1 587032730 OALUFDLCWFJBPM-UHFFFAOYSA-N 407.502 5.667 5 1 HKBF O=[N+]([O-])c1cccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068521 VCRJOVACAGONHY-UHFFFAOYSA-N 405.801 5.237 5 1 HKBF CC[C@@]1(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)CC(=O)c2ccccc2C1 587961757 TZNOCGFZHHFLBI-SANMLTNESA-N 406.489 5.427 5 1 HKBF Cc1ccc2c(c1)c(=O)c1ccccc1n2Cc1nc(-c2ccc(Cl)cc2)no1 653739173 QYJLRBLUYRCEFF-UHFFFAOYSA-N 401.853 5.215 5 1 HKBF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C 2356466060 QSLXXAZXUYYJCO-UHFFFAOYSA-N 404.682 9.933 5 1 HKBF COc1cc2c(=O)c3c(O)c4c(cc3oc2cc1O)O[C@](C)(CCC=C(C)C)C=C4 299855801 BOWMLGYDVCBFQT-XMMPIXPASA-N 408.450 5.277 5 1 HKBF CNc1cccc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)c1 587236334 UUNCUTHQRLACLP-UHFFFAOYSA-N 423.270 5.609 5 1 HKBF CCOc1ccccc1-c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587779909 JJYXPHDXZAHQGS-UHFFFAOYSA-N 414.508 7.602 5 1 HKBF O=[N+]([O-])c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587071815 RYXVDDGRJDDJQB-XFXZXTDPSA-N 405.841 5.874 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cccc([N+](=O)[O-])c2)sc1C 82163500 UIVBQKGAXFOOAE-BFUOFWGJSA-N 423.542 5.783 5 1 HKBF Cn1c2ccccc2c2c(NCCCNC(=O)Nc3ccccc3)nc3ccccc3c21 169309499 KUPDPICLGKYTFS-UHFFFAOYSA-N 423.520 5.503 5 1 HKBF Cc1c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979688 HYSKQLMMMWEXJN-UHFFFAOYSA-N 416.153 5.108 5 1 HKBF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c1O 587097441 HOHQLVQUDHPMAD-UHFFFAOYSA-N 412.401 5.044 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1SC1CCCCC1)O2 587411759 VMPHGDZDZCBFPO-HXUWFJFHSA-N 412.511 5.617 5 1 HKBF O=c1c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2[nH]c2cc(F)cc(F)c12 1911574514 ZSNHCKJCPFQMGQ-UHFFFAOYSA-N 407.294 5.650 5 1 HKBF O=C1[C@H]2[C@H](C=CC[C@H]2c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 103751621 JCFITQHCTOJUNS-SSUZURRFSA-N 424.500 5.654 5 3 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncc(Br)c2[nH]1 586968684 HMTBIWIGGBDAQJ-UHFFFAOYSA-N 407.293 5.044 5 1 HKBF Cc1cc(Br)c2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c1 587274015 XYMVMVJDYKTLQU-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628580 VPRJCSRKSWWCMV-UHFFFAOYSA-N 416.277 5.983 5 1 HKBF CCOC(=O)Cc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272363 RBCMGANUXIJNRT-UHFFFAOYSA-N 417.421 5.036 5 1 HKBF O=C(c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645241 MBHSARNQYVQLNQ-UHFFFAOYSA-N 403.143 5.795 5 1 HKBF CC(C)(C)OC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26753036 KTLCBCNCYPCXHN-QHCPKHFHSA-N 413.473 5.590 5 1 HKBF c1ccc2nc3cc(CNCCN4CCCCC4)c4nc5ccccc5cc4c3cc2c1 38839154 WMTQBXGXSJNOMM-UHFFFAOYSA-N 420.560 5.665 5 1 HKBF Cc1ccc(CSCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 586970682 NVTWJEAUOALPJJ-UHFFFAOYSA-N 406.305 5.018 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)c1 587269368 BMHDRNKDVKMVPN-UHFFFAOYSA-N 416.440 6.507 5 1 HKBF Cc1ccc(-n2cccc2[C@H]2c3ccsc3CCN2Cc2ccco2)c([N+](=O)[O-])c1 962704122 IOSVVAOMUOTGPA-HSZRJFAPSA-N 419.506 5.496 5 1 HKBF CC[C@H](O)c1cc2oc3cc(=O)c4cc(C(C)C)cc5oc6cc(=O)c(c1)c2c6c3c54 146030496 ZEKVJWYSOMRWQB-INIZCTEOSA-N 412.441 5.801 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c1 587082885 WLTKWYFLWJDUCI-UHFFFAOYSA-N 400.825 6.007 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCCCC[C@@]23c2ccsc2CCN3Cc2ccco2)cc1 962702589 FITXCZYFZUAJCM-URXFXBBRSA-N 422.550 6.251 5 1 HKBF COc1ccc2nc3ccc(OC)cc3c(SCc3ccc([N+](=O)[O-])cc3)c2c1 5582587 ADQVOEHTIPRZRG-UHFFFAOYSA-N 406.463 5.606 5 1 HKBF CCCNCc1ccc2nc3ccc4nc5ccc(CNCCC)cc5cc4c3cc2c1 39064568 XCSMGDURFVFFLJ-UHFFFAOYSA-N 422.576 6.089 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2ccc(Cl)cc12 169338998 SHSBMQHKNMIIIG-MGPUTAFESA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)cc1 587271279 AEQYULPGZBEPSS-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF COc1cccc(-c2cc(Cc3ccc(C)cc3[N+](=O)[O-])nc3c2oc2ccccc23)c1 587363111 PJAQSKRKHPQCPD-UHFFFAOYSA-N 424.456 6.464 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2c1[N+](=O)[O-] 587577289 RVOVPSDLKPHSPS-GBXCKJPGSA-N 413.385 5.157 5 1 HKBF O=[N+]([O-])c1ccc(/C=C/c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 28712430 GXEMUBVGJGCMJX-DTQAZKPQSA-N 401.471 5.242 5 1 HKBF COc1c(CC=C(C)C)c(O)c2c(=O)c3ccc(O)c(OC)c3oc2c1CC=C(C)C 95560459 DNJPXVPGCXVCOK-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)F 587645182 KKJMFOAACKWXPI-UHFFFAOYSA-N 402.250 5.263 5 1 HKBF CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 773879 LMMNFOSQLSHIQH-UHFFFAOYSA-N 417.824 5.095 5 1 HKBF C[N+](C)(C)c1ccc(CC(=O)OCCCCCCCn2ccc3ccccc32)cc1 27080553 GIHQXOVQMWXDQP-UHFFFAOYSA-N 407.578 5.574 5 1 HKBF Fc1c(F)c(F)c(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)c(F)c1F 587135206 WDLGAMKPGQRENJ-KTKRTIGZSA-N 410.345 6.735 5 1 HKBF O=C1c2ccc(O)cc2O[C@@]2(CCCc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1 587343692 USUPPIUEDUYVDP-ISKFKSNPSA-N 419.408 5.030 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cn3)cc1)CC2=O 587469871 HQZLJDXCQCBVDU-JOCHJYFZSA-N 404.422 5.021 5 1 HKBF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1Cl 587864679 SACNPVOCJBBZTF-UHFFFAOYSA-N 411.767 5.518 5 1 HKBF O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc([N+](=O)[O-])o1 23448412 YZCKGDWVBSRKPJ-UHFFFAOYSA-N 403.369 5.308 5 1 HKBF COCc1c(NC(=O)OCc2ccc([N+](=O)[O-])cc2)ccc2cc3ccccc3nc12 40556750 NEPJVAPYJOWORZ-UHFFFAOYSA-N 417.421 5.191 5 1 HKBF O=[N+]([O-])c1ccc(-c2csc3nc(-c4cc(F)c(Cl)cc4Cl)nn23)cc1 40918171 RIUFLULFFPTHGL-UHFFFAOYSA-N 409.229 5.479 5 1 HKBF Cc1cc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2cc1[N+](=O)[O-] 587129148 SKZYGCWSIUFIRC-LURJTMIESA-N 405.739 5.114 5 1 HKBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501105 WEHDXYHIFIXRKF-GOSISDBHSA-N 416.271 5.251 5 1 HKBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1-c1ccc[nH]1)N2 64539532 WMKCACSJDBTUJB-UHFFFAOYSA-N 404.817 5.193 5 1 HKBF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1C)CC2=O 587472969 PEQFOGNNOINJGT-JOCHJYFZSA-N 406.438 5.059 5 1 HKBF CC(C)/N=c1\cc2n(-c3ccc(F)cc3)c3ccccc3nc-2cc1Nc1cccnc1 95577553 XAQLHMXJLYSNQF-BYNJWEBRSA-N 423.495 5.717 5 1 HKBF O=C1C[C@H](Cc2ccccc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95592647 JWGACCWJXAJASM-IBGZPJMESA-N 404.491 5.235 5 1 HKBF O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3o2)cs1 473090086 VBCXDEQSQSZOBI-UHFFFAOYSA-N 414.830 5.762 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)sc1C 82219930 DQEDKFYOYKTBOB-YJYMSZOUSA-N 423.542 5.783 5 1 HKBF O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])cnc1Cl 96926876 GZKSGJLIUOALLC-UHFFFAOYSA-N 410.842 5.172 5 1 HKBF CCCCS(=O)(=O)N[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C(C)C 586933674 VWNZVLBPHCZPKG-FQEVSTJZSA-N 409.555 5.286 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 587136239 XPBCSXTWOXPVPJ-UHFFFAOYSA-N 417.227 5.954 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587843589 JDHQOXDVAVSTBL-KWKYVRJSSA-N 419.703 5.009 5 1 HKBF O=C(C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1)c1ccc(Cl)c(Cl)c1 49588991 CLZXITGNUVWIEP-HXUWFJFHSA-N 421.324 6.535 5 1 HKBF Cc1cc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2cc1[N+](=O)[O-] 587111198 ATRPWFPKGBTFGQ-UHFFFAOYSA-N 413.355 6.258 5 1 HKBF O=[N+]([O-])c1cccnc1Oc1ccc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)cc1 963098031 FWWVGRXKLSQXKM-PGRDOPGGSA-N 405.429 5.031 5 1 HKBF COc1cc2cc(-c3nc4ccccc4[nH]3)c3cc(OC)c(OC)cc3c2cc1OC 1857646631 BFMQSMLKAIYOBH-UHFFFAOYSA-N 414.461 5.571 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 34804446 QTXGQZHSSQGLLW-UHFFFAOYSA-O 406.377 6.155 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 34804456 USMUDLPXXBPJQV-JKSBSHDWSA-O 418.388 6.011 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1F 587050431 QCFKAESNHOEHOG-UHFFFAOYSA-N 417.827 6.751 5 1 HKBF O=C1C[C@H](c2c3ccccc3c(Cl)c3ccccc23)Oc2c1ccc1c2CCCC1 587499125 LFVRPAWCRSSSLQ-XMMPIXPASA-N 412.916 7.232 5 1 HKBF COc1cc(C[C@@H](O)c2cccc(-c3ccc(Cl)cc3)c2)c([N+](=O)[O-])cc1OC 653717451 IKMOHLUVYZRMML-HXUWFJFHSA-N 413.857 5.209 5 1 HKBF Cc1ccc(-c2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2-c2ccc(C(F)(F)F)cc2)cc1 1772644366 MUANCYDZXSNIHY-UHFFFAOYSA-N 424.378 6.098 5 1 HKBF CC(C)(CCCCOc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)C(=O)O 13729661 WLEGGOQVHTYVEK-UHFFFAOYSA-N 408.454 5.470 5 1 HKBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 34201755 ZPPBHWMXEUHSEY-UHFFFAOYSA-N 416.069 5.009 5 1 HKBF O=C1C[C@H](c2ccc(F)cc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95592373 CUGGXUDATWGDNO-OAQYLSRUSA-N 408.454 5.504 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)CC2=O 587473607 YJGIOSKTXRCTJD-QFIPXVFZSA-N 407.422 5.528 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587958442 CHQMFAAKABWKIE-UHFFFAOYSA-N 408.255 5.491 5 1 HKBF COc1cc(C[C@H](O)c2ccc(-c3cccc(Cl)c3)cc2)c([N+](=O)[O-])cc1OC 653714219 ADLWXIAXNUKYIU-FQEVSTJZSA-N 413.857 5.209 5 1 HKBF O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(ccc3c4ccccc4ccc23)c1 26725171 BMAQRBJYEJKXEW-UHFFFAOYSA-N 410.517 5.877 5 1 HKBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc([N+](=O)[O-])cc21 587469819 GJYFAXQHLCIVHZ-DEOSSOPVSA-N 401.418 5.142 5 1 HKBF O=C(/C=C/c1ccc(F)cc1)N(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] 1911571220 YGGOJPHYJJMANQ-MDWZMJQESA-N 408.404 5.115 5 1 HKBF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174196 BVQVAEGFZMYQQN-DJJJIMSYSA-N 407.474 5.314 5 1 HKBF COc1cc2cc(C(=O)[C@H]3CCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137757 MLMBMROIKCDDBW-SIBVEZHUSA-N 424.586 5.548 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc4cc([N+](=O)[O-])ccc4o3)nc3ccc(O)c1c23 586987691 QOAWDHJWSQMDSP-UHFFFAOYSA-N 408.369 5.473 5 1 HKBF O=[N+]([O-])c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 587011570 PREJUZUYMWMIMK-UHFFFAOYSA-N 407.476 6.238 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c12 587131713 SEBLJOAFACOSJZ-UHFFFAOYSA-N 408.202 5.115 5 1 HKBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c1 587270729 RIBPNLBIPLJEHR-UHFFFAOYSA-N 413.206 5.102 5 1 HKBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cccc3ccc4cccc1c4c23 587487450 ZTMYCRYZHZNBQD-MHZLTWQESA-N 408.453 5.708 5 1 HKBF COc1ccc2c3c(ccc2c1)OCN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C3 1857764728 KVCPVDVUBPJKBT-UHFFFAOYSA-N 419.462 5.237 5 1 HKBF O=[N+]([O-])c1ccc(N2[C@@H](c3ccccc3)[C@]23C(c2ccccc2)=Nc2ccccc23)cc1 103276140 AVZGBGRFRXXNEP-DARYULOESA-N 417.468 6.186 5 1 HKBF CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1 104033497 ACNFCPIEFFTDRE-JOCHJYFZSA-N 424.497 5.669 5 1 HKBF O=C(O)c1cc(-c2nc(-c3cccnc3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204974118 DJOHGXCDBSAMDK-UHFFFAOYSA-N 403.419 5.146 5 1 HKBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 586915512 FBYZTBCNEXMSJC-AMGIVPHBSA-N 406.485 6.086 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3cc3ccccc23)N1 587817702 AAZNASYMMFOQPJ-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF Cc1ccccc1Nc1nnc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)s1 103173219 ARRVLAICKQOXLE-UHFFFAOYSA-N 410.484 5.365 5 1 HKBF O=[N+]([O-])c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587112012 UMCXZNJHXHLTST-UHFFFAOYSA-N 403.282 5.294 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)cc1 587272569 VLBWRICHQRFVCE-UHFFFAOYSA-N 417.318 6.088 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C)cc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587434656 XXDHLSBDRLAUQM-MHECFPHRSA-N 417.417 5.193 5 1 HKBF CCSc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613035 MKVJFIXMVROEIU-UGKGYDQZSA-N 423.446 5.115 5 1 HKBF Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)c(Cl)c1 587644638 JFSNGJQFGYVVRQ-UHFFFAOYSA-N 419.868 6.266 5 1 HKBF Oc1ccc(OCc2ccccc2)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587783016 VOJJKMRUJOHLAW-UHFFFAOYSA-N 418.456 5.611 5 1 HKBF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174195 BVQVAEGFZMYQQN-ORAYPTAESA-N 407.474 5.314 5 1 HKBF Cc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1[N+](=O)[O-] 587011828 RWJXFUQVZLTTJY-UHFFFAOYSA-N 421.503 6.547 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587072987 BJHSIJNIPWXJGD-UHFFFAOYSA-N 406.667 5.161 5 1 HKBF O=C1C[C@@H](c2cc(Br)c(F)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587507626 ROAVITQKOPXXIW-SFHVURJKSA-N 420.234 5.082 5 1 HKBF O=C(c1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645391 TZMJIJRBUMNYBZ-UHFFFAOYSA-N 413.149 5.251 5 1 HKBF CCCN(CCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857557524 SQSTZEVRCDXGBE-UHFFFAOYSA-N 407.341 5.489 5 1 HKBF COc1cc2ncc3c(N)nc(-c4cncc(Nc5ccccc5)c4)cc3c2cc1OC 45259270 XPBLRWQJIYHWGF-UHFFFAOYSA-N 423.476 5.188 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587109340 HVRQUQXYWDVXTL-UHFFFAOYSA-N 421.322 5.693 5 1 HKBF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2N1 587126471 XFPNMAJTUVRPMV-XIKOKIGWSA-N 421.426 6.040 5 1 HKBF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512340 WUFRIIWQXILDBE-QHCPKHFHSA-N 402.450 5.279 5 1 HKBF O=C1C[C@](Cc2ccccc2)(c2cccc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587513766 ULLBBKYGTAQDSD-AREMUKBSSA-N 413.473 5.577 5 1 HKBF O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587876909 WPBGDHNEAVTLMN-UHFFFAOYSA-N 415.789 5.260 5 1 HKBF COc1cc(/C=C/c2cc(=O)oc3c2ccc2c(OC)cccc23)cc(OC)c1OC 1857566175 HSHPMBMPMBSQPB-CMDGGOBGSA-N 418.445 5.151 5 1 HKBF O=C1CSC2=Nc3c(sc4ccc(Cl)cc34)[C@@H](c3cccc([N+](=O)[O-])c3)N12 1857612750 IJGFLHWELHNPFT-MRXNPFEDSA-N 415.883 5.129 5 1 HKBF Cc1ccc(C[N+](C)(C)CCCN2c3ccccc3Sc3ccc(Cl)cc32)cc1 13812773 SUMBEDJMEJLPLO-UHFFFAOYSA-N 424.033 6.918 5 1 HKBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F 587139667 OSHFOPPBJGYGHU-UHFFFAOYSA-N 424.844 6.207 5 1 HKBF Cc1ccc([N+](=O)[O-])c([C@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963094780 DCERQQWCTDWBMM-BWKNWUBXSA-N 402.469 5.355 5 1 HKBF COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046763 LURXDEWYIVPAFI-WAYWQWQTSA-N 415.877 5.647 5 1 HKBF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587066760 RGIQMAOGGSFFKK-SECBINFHSA-N 410.655 5.335 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587108972 KAGSEZMDZBASCV-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2ccccc2)c([N+](=O)[O-])c1C=Cc1ccccc1 2356841618 TZGSAAFZDFZNNF-UHFFFAOYSA-N 417.377 5.752 5 1 HKBF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163822 QEQLJYGTNXHBTK-UHFFFAOYSA-N 419.416 5.075 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2ncccc12 169336655 AYJFAQHLKADMSM-QFIPXVFZSA-N 419.396 6.630 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2ccccc2c2cc(C(F)(F)F)ccc12 169339479 UZXHUFUOZJXBAK-DEOSSOPVSA-N 417.515 6.947 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(O)n(-c3ccc(Oc4ccc(F)cc4)c(F)c3)c2O)cc1 587944361 DDGLBGANANFVOX-UHFFFAOYSA-N 424.359 5.534 5 1 HKBF O=C(Nc1ccc(OCc2cc(F)cc(F)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653916372 JEXGBGVSZVENJB-UHFFFAOYSA-N 423.375 5.186 5 1 HKBF CCCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 5837199 VDBMRMRPIBTREN-RMLRFSFXSA-N 418.544 6.575 5 1 HKBF Cc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030024 VVLOJVPWCAAQBM-UHFFFAOYSA-N 422.513 6.019 5 1 HKBF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586879421 QKHGAHRKJVMOMH-UHFFFAOYSA-N 408.255 5.876 5 1 HKBF Cc1cc(N(C)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F 587136416 FNHFMIDDUSBZGP-UHFFFAOYSA-N 416.762 5.227 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc3ccc4ccc5cccc1c5c4c23 587408138 MWVHKNCLKZOCPV-UHFFFAOYSA-N 401.465 6.259 5 1 HKBF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163494 RGVQQUUHDSBQSY-IFXJQAMLSA-N 423.542 5.728 5 1 HKBF Cc1oc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587268694 JGJVXJKRGXFTAA-UHFFFAOYSA-N 408.252 5.227 5 1 HKBF CCN(CC)CCC[C@@H](C)Nc1c2cc(Cl)ccc2nc2[nH]c3ccccc3c12 40940333 GQDYYPSJIAYIIU-MRXNPFEDSA-N 408.977 6.445 5 1 HKBF C[C@@H](c1ccc2sc3ccccc3c2c1)n1cc(-c2ccccc2[N+](=O)[O-])nn1 84759623 RTFAQHPLMVVSBP-AWEZNQCLSA-N 400.463 5.831 5 1 HKBF COc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c([N+](=O)[O-])c1 587511838 SIERZGNTCNGIRM-HSZRJFAPSA-N 419.433 5.449 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 15156992 GMQZSQMIENYQEB-HOFLTLAOSA-N 410.598 5.751 5 1 HKBF endogenous,in-man CC(C)=CCC/C(C)=C/CC/C(C)=C/C[N+](C)(C)CCCCCCS(=O)(=O)O 26576195 YHYSLQVAOVMNEK-YYZDAUDSSA-O 414.676 5.930 5 1 HKBF C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 253660929 USMUDLPXXBPJQV-PNLZDCPESA-O 418.388 6.011 5 1 HKBF Clc1ccc(-c2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)nn1 587087022 GQIYAFKMHAOHGP-UHFFFAOYSA-N 408.852 5.437 5 1 HKBF Cc1ccccc1-c1coc2c(c(O)cc3occ(-c4ccccc4C)c(=O)c32)c1=O 653882102 AFANMSFFSANVKR-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF COc1ccc(-c2nc3ccc([N+](=O)[O-])cn3c2Nc2c(C)cccc2C)c(OC)c1 72124844 NLUABTSNANOMBB-UHFFFAOYSA-N 418.453 5.287 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2cnccc2c2c(Cl)cc(Cl)cc12 169337273 ACAVQLHIEUMQJZ-JOCHJYFZSA-N 419.396 6.630 5 1 HKBF CCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337867 ZVLYIUPXNPYBMJ-LJQANCHMSA-N 415.377 6.064 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccccc1)O2 587410729 WTTVAZKAQMJQAC-OAQYLSRUSA-N 420.490 5.484 5 1 HKBF O=[N+]([O-])c1cc([C@H]2c3ccsc3CCN2Cc2cccnc2)ccc1C(F)(F)F 963007039 JMWYCHYXGJXEKM-IBGZPJMESA-N 419.428 5.218 5 1 HKBF O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103279963 QCUDPWGDINBVDR-RXFKJLCSSA-N 406.590 5.566 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cnccc12 169336659 NPYJDSOBEFGXRA-QHCPKHFHSA-N 419.396 6.630 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Cl 587094804 IBAGUIIZLHLVSG-UHFFFAOYSA-N 409.673 5.829 5 1 HKBF FC(F)(F)Sc1ccc(/C=C\c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587126256 WNPFVUARJBVNFJ-YFHOEESVSA-N 422.435 6.442 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)cc1 587272131 NSIURGUQYXOWHE-UHFFFAOYSA-N 411.215 5.088 5 1 HKBF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 82174812 JWUWHLRYSWXEDH-UHFFFAOYSA-N 415.453 5.244 5 1 HKBF CC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CCC(C)(C)C1 83920699 ISRGBERFYCZNPL-UHFFFAOYSA-N 411.343 5.790 5 1 HKBF in-vitro CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C 85866154 QSLXXAZXUYYJCO-IMFKHJNASA-N 404.682 9.933 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cc(C(C)(C)C)nc2c1ccc1ccccc12 169334954 PLBKFIJZKYLKDG-DEOSSOPVSA-N 406.614 6.621 5 1 HKBF Cc1cc2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2cc1[N+](=O)[O-] 586981875 FYHMMQWANQVUHC-OAHLLOKOSA-N 416.319 5.914 5 1 HKBF O=[N+]([O-])c1cncc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082941 XFGFHYSZLGAHDM-UHFFFAOYSA-N 401.813 5.402 5 1 HKBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587262952 JOQVTFIONUKRJV-UHFFFAOYSA-N 405.479 5.552 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587746355 JQVLHIVXDSQJKU-CIIANHGWSA-N 405.267 5.175 5 1 HKBF CCOc1ccccc1-c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587779704 DSOLUOSDUQSRJZ-UHFFFAOYSA-N 416.484 6.392 5 1 HKBF O=c1c(-c2ccccc2)nc2cc3cccnc3c(Cl)c2n1CC1CCCCC1 653753086 YILSHVHKORKGEL-UHFFFAOYSA-N 403.913 5.845 5 1 HKBF Clc1ccc(Br)nc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587004948 FSIDEAWAKXAHCI-UHFFFAOYSA-N 410.662 5.137 5 1 HKBF Cc1cc(C)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 587117177 ATVLYNVUTMJULH-UHFFFAOYSA-N 415.375 5.019 5 1 HKBF FC(F)(F)Oc1ccc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)n[nH]c2c1 587127557 XEMGJUXRWMMCSX-UHFFFAOYSA-N 420.354 5.101 5 1 HKBF Oc1ccc(Nc2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1 587241853 BSDHXNPTEQJIAP-UHFFFAOYSA-N 403.445 5.776 5 1 HKBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ccc4cccc5ccc1c3c45)CC2=O 587478059 AUOWVELPIOQSJT-LJAQVGFWSA-N 420.508 7.123 5 1 HKBF O=[N+]([O-])CCCCCCN1c2ccc(Br)cc2Sc2cccnc21 653715497 VOBRKBRNSGWQNG-UHFFFAOYSA-N 408.321 5.284 5 1 HKBF CN(C)CCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299855215 ARMHCDAHKQVAOY-JLHYYAGUSA-N 416.956 5.970 5 1 HKBF COc1ccc(-c2cccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2)cc1O 587785667 DVFANDWKSXTUDV-UHFFFAOYSA-N 416.480 6.918 5 1 HKBF COc1c(CC=C(C)C)c(O)c2c(=O)c3cccc(OC)c3[nH]c2c1CC=C(C)C 14780668 BCTQZZZXVXBVCS-UHFFFAOYSA-N 407.510 5.422 5 1 HKBF biogenic COc1ccc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1OCCCC(C)C 95563689 HCVVGKZIACCJJF-INIZCTEOSA-N 415.490 5.301 5 1 HKBF Cc1c(-c2ccc(OCCN3CCCCC3)cc2)c(=O)oc2ccc3ccccc3c12 61923124 UMBCVZRKJWCOGJ-UHFFFAOYSA-N 413.517 5.786 5 3 HKBF O=[N+]([O-])c1ccccc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C21 103996708 WQGKESVMUDEIBW-GKVSMKOHSA-N 411.461 6.224 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949510 VLLHMUFMUVKKPD-UHFFFAOYSA-N 424.254 5.617 5 1 HKBF Cc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512378 NEZIIQCIYNCCPG-HSZRJFAPSA-N 402.450 5.279 5 1 HKBF COc1ccc([C@@H](c2ccccc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587937226 ORZBELCBBITSFA-AREMUKBSSA-N 414.508 7.058 5 1 HKBF COc1cc2[nH]c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3c(=O)c2cc1F 1911584295 CYZRWOOUNSDSOW-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF O=[N+]([O-])c1ccc(-c2c[nH]cc2[C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)cc1 26644265 RGSRKBHTUUKVTA-HXUWFJFHSA-N 413.264 5.731 5 1 HKBF CCN(CC)CCCNc1ncc(C)c2c1c1ccc3cc(OC)ccc3c1n2C 29321076 ZIUPBRJOTJBYBW-UHFFFAOYSA-N 404.558 5.341 5 1 HKBF Cc1cc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2cc1[N+](=O)[O-] 587121655 JJSFPWUINJVYPK-UHFFFAOYSA-N 402.332 5.202 5 1 HKBF O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587279810 BIFDUBNYPMKOCG-UHFFFAOYSA-N 403.234 5.610 5 1 HKBF CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 71334172 UCHZYHUKFPSDLQ-RXFKJLCSSA-N 407.578 5.281 5 1 HKBF CC(C)=CCCC(C)=CCCC(C)=CCC(=O)NC[C@@H]1CC[N@@+]2(C)CCCC[C@H]12 2356314548 UMAWGIQJLCNKLK-BXTSTYNKSA-O 401.659 5.931 5 1 HKBF CC(C)=CCCC(C)=CCCC(C)=CCC(=O)NC[C@@H]1CC[N@+]2(C)CCCC[C@H]12 2356314549 UMAWGIQJLCNKLK-OARDWFSCSA-O 401.659 5.931 5 1 HKBF O=C(O)c1ccc2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccc(C(F)(F)F)cc3c2c1 169338176 OZMMWMAPZPSCED-KKSFZXQISA-N 417.427 5.276 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)CC2=O 587469251 YWXJGELKJKBETC-XMMPIXPASA-N 421.424 5.301 5 1 HKBF COc1ccc(C2(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC3(CCC3)C2)cc1 587934828 FUZRUEXBDZDXJH-UHFFFAOYSA-N 420.516 5.918 5 1 HKBF CN(CCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28641079 NKJXMWCNCBVIAA-UHFFFAOYSA-N 415.533 6.017 5 1 HKBF in-vivo O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(F)c3F)nc3cccc1c23 587103191 HFRHRJPPSSGQEE-UHFFFAOYSA-N 402.356 5.223 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3c3ccccc23)N1 587824617 XUDPGOWILUKCLW-BSEYFRJRSA-N 420.325 6.518 5 1 HKBF Cc1cc(N(C)Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c([N+](=O)[O-])cc1F 587137005 OHOVELRDSOZAGL-UHFFFAOYSA-N 422.485 5.706 5 1 HKBF Cc1ccc(OCc2ccc(C(=O)c3coc4ccc(Cl)cc34)o2)c([N+](=O)[O-])c1 587278466 NVBLMIRRAHEVRN-UHFFFAOYSA-N 411.797 5.706 5 1 HKBF O=C(O)CCCCCCCCCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587956486 DGMPYLMSJYXSAT-UHFFFAOYSA-N 409.914 6.043 5 1 HKBF CCc1cnc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82219916 OXCYRWCOHMZJRN-AUUYWEPGSA-N 423.542 5.728 5 1 HKBF Cc1ccc(F)cc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cc(F)ccc1C 101420158 LBKRXXLTIFHWRI-FGZHOGPDSA-N 400.533 5.225 5 1 HKBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587160639 YCAMVCFROIVXFD-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF CC1(C)C=Cc2c(cc3c4c2sc2ccccc2c4nn3CCN2CCCCC2)O1 26579198 YZNRZDPZWVGAFH-UHFFFAOYSA-N 417.578 6.074 5 1 HKBF CC(C)(C)c1cc(-c2cc(-c3ccc(O)c([N+](=O)[O-])c3)[nH]n2)cc(C(C)(C)C)c1O 26657694 LWMASQFAMQTUOJ-UHFFFAOYSA-N 409.486 5.658 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc([N+](=O)[O-])c1 587135457 BNNKVFYSYJMBIO-UHFFFAOYSA-N 403.457 6.550 5 1 HKBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2C)N1 962939465 BMRNIETUCJDDKA-FYSMJZIKSA-N 400.482 5.189 5 1 HKBF C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 40602436 BLINFSGMIYMRSY-UHFFFAOYSA-O 408.349 5.001 5 1 HKBF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587454260 XONJVOVZPCBHKE-GAJHUEQPSA-N 419.458 5.243 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCCCC[C@]23c2ccsc2CCN3Cc2ccco2)cc1 962702590 FITXCZYFZUAJCM-XUZZJYLKSA-N 422.550 6.251 5 1 HKBF COc1ccccc1-c1nc2c([nH]1)c1c3c(ccc1c1occ(C)c21)C(C)(C)CCC3 1857649798 CABNKYIAQIJPFK-UHFFFAOYSA-N 410.517 7.060 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)o1 587265607 RIAVJVKZGYERBH-UHFFFAOYSA-N 407.735 6.070 5 1 HKBF Cc1c([N+](=O)[O-])cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335339 LDJRNDUMTJWVPK-FYYLOGMGSA-N 407.397 5.022 5 1 HKBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](Cc1ccccc1[N+](=O)[O-])CC3 587103958 CLTWOIMKPYRETF-INIZCTEOSA-N 406.441 5.627 5 1 HKBF Cc1c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cccc1[N+](=O)[O-] 587261059 RFNQBHRBOBSFQQ-UHFFFAOYSA-N 400.154 5.228 5 1 HKBF O=[N+]([O-])c1cccc(-c2ccccc2[C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962711486 SXYZVSVWKUXBLP-XMMPIXPASA-N 416.502 6.064 5 1 HKBF CC(C)=CCCC(C)=CCc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 2356464254 CGMGCGYLRFAMQF-UHFFFAOYSA-N 404.462 6.339 5 1 HKBF CC[C@@H](C)Nc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174695 FOFXZDCPZFBYSE-CYBMUJFWSA-N 405.483 5.539 5 1 HKBF COCCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587264623 GVPQHNGMQZWADT-UHFFFAOYSA-N 413.433 5.470 5 1 HKBF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)N(C)[C@H](C)C2 962629721 PUDLHDBIKGLCGK-VOIUYBSRSA-N 418.493 5.245 5 1 HKBF O=c1oc2ccccc2c2nc3c(ccc4cc[nH]c43)c(-c3ccc([N+](=O)[O-])cc3)c12 1911575476 OUNNTOLNQAXAMG-UHFFFAOYSA-N 407.385 5.551 5 1 HKBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(Cl)c1OCC(C)C 587046711 KKPYDVFANAGQRF-SNAWJCMRSA-N 419.840 5.477 5 1 HKBF Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)c([N+](=O)[O-])c1 587511205 NXDGSYINDRXBKP-QHCPKHFHSA-N 403.434 5.749 5 1 HKBF O=C1NC(=O)/C(=C/c2ccc(OCCCCC3CCCCC3)c([N+](=O)[O-])c2)S1 139501087 VFDWMNLOXCHKNP-AQTBWJFISA-N 404.488 5.048 5 1 HKBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 587167692 QOOCJJJGWUFDOU-JOCHJYFZSA-N 424.479 6.377 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 587264979 KUIBWCOGEJHSAD-UHFFFAOYSA-N 407.389 5.495 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2c2ncccc12 587587978 QVRDNDYBUAPKJW-HFZDXXHNSA-N 420.424 5.192 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccccc3cc3ccccc23)N1 587824077 TXHGAZBAYFSVLC-SHACYNPGSA-N 420.325 6.518 5 1 HKBF CC(C)Sc1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1[N+](=O)[O-] 962705067 JNJWTLSXOWCBOS-OAQYLSRUSA-N 414.552 5.898 5 1 HKBF Cc1ccc2c3c(cc(Cc4c([N+](=O)[O-])ccc(O)c4F)nc13)-c1ccccc1C2=O 586994863 FNLFKUVOCBFPOG-UHFFFAOYSA-N 414.392 5.098 5 1 HKBF FC(F)(F)Oc1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)n[nH]c2c1 587126406 AHVPBFBZLWBKRC-UHFFFAOYSA-N 420.354 5.101 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4c(ccc5ccccc54)c3)nc3cccc1c23 587208208 RUKAQGGUHMEJFG-UHFFFAOYSA-N 407.472 7.420 5 1 HKBF O=C(c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643914 KNRRCNDKOUNTRW-UHFFFAOYSA-N 421.250 5.737 5 1 HKBF O=[N+]([O-])c1cc(Br)ccc1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962663925 FBPCAWCNOWBDEN-NRFANRHFSA-N 409.283 5.259 5 1 HKBF CCC(=CCc1ccc2[nH]c3c4[nH]c5ccccc5c4c4c(c3c2c1)C(=O)N[C@H]4O)CC 1857601437 VGLVHFMCQWDLTM-SANMLTNESA-N 423.516 5.979 5 1 HKBF O=C1[C@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13830649 JCFITQHCTOJUNS-KEVKATSASA-N 424.500 5.654 5 1 HKBF O=C1C[C@@H](Cc2ccccc2)Sc2ccccc2N1Cc1ccccc1[N+](=O)[O-] 95592646 JWGACCWJXAJASM-LJQANCHMSA-N 404.491 5.235 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nc4ccccc4nc23)N1 587780108 YKUAGOHLGLNYTH-GTJPDFRWSA-N 422.301 5.308 5 1 HKBF O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](c2ccccc2)c2ccccc21 40877606 JABOSEYKEDBRSD-AREMUKBSSA-N 420.468 5.935 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])C1 95592014 COVMBZWDQXUVLQ-TZDIHQBASA-N 415.537 6.841 5 1 HKBF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc2ccc3cccc4ccc1c2c34 100812971 ANLHBKWHZRLXRB-NQCAOJNNSA-N 407.513 5.623 5 1 HKBF CCCCN(CCCC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CCCC 169326773 YMEONCWTQULFHJ-UHFFFAOYSA-N 406.570 5.997 5 1 HKBF Cc1ccc2c3c(cc(CSc4ccccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587102912 RSMURZKKJNMXLU-UHFFFAOYSA-N 412.470 5.955 5 1 HKBF CC(=O)c1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)ccc2F)cc1 587139332 GSTXIVHULDSHQK-UHFFFAOYSA-N 420.356 5.055 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc([N+](=O)[O-])c1 587136153 WEHQYTNLPCQEFA-UHFFFAOYSA-N 416.334 5.666 5 1 HKBF Cc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5ccccc5nc4c23)cc1 45357685 GMXAOJAPHISCOV-UHFFFAOYSA-N 414.468 5.433 5 1 HKBF COc1ccc(Nc2c(-c3c4ccccc4cc4ccccc34)nc3ccccn23)cc1 95560771 ULOLGGPGSCQOOA-UHFFFAOYSA-N 415.496 7.060 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2ccc(Cl)cc12 169338503 PPQUYMLWJIPCGF-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587108576 CJBJNJAVFJIVEU-UHFFFAOYSA-N 408.339 5.043 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccccc3nc3ccccc23)N1 587780246 ZNTHNAUOYZOTPO-NPMABZOXSA-N 421.313 5.913 5 1 HKBF Cc1cccc([C@@]2(c3ccc([N+](=O)[O-])cc3)NCCc3cc(-c4ccccc4)ccc32)c1 962659024 FDRUKXSMPFWEKX-MUUNZHRXSA-N 420.512 6.008 5 1 HKBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988075 XSKYNSZDWZGSAL-UHFFFAOYSA-N 421.412 5.517 5 1 HKBF O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(C(F)(F)F)cc1Cl 653721436 XGUSMKGVJNDCJX-UHFFFAOYSA-N 416.768 5.521 5 1 HKBF N[C@H](Cc1cccc(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586983611 GADXONIRXQYRBW-HXUWFJFHSA-N 416.322 5.874 5 1 HKBF Cc1cc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145088 UPYYGRUMLKJNNU-UHFFFAOYSA-N 405.385 5.259 5 1 HKBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(COc2ccc(Cl)cc2)cc1 1857583818 MAUGOEGDUPPHKN-UHFFFAOYSA-N 414.845 5.085 5 1 HKBF Cc1cc(OCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl 2001052 JEPPLJHEBOKUEC-UHFFFAOYSA-N 409.934 5.709 5 1 HKBF Cc1cccc2c1oc(=O)c1ccc(-c3cc4c(ccc5ccccc54)oc3=O)nc12 103198790 YQISLQAJUNEXGL-UHFFFAOYSA-N 405.409 5.576 5 1 HKBF COc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)nn1-c1ccccc1F 587155831 IEUPQRILLWWHHT-UHFFFAOYSA-N 408.436 5.870 5 1 HKBF O=C(c1sc2cc3c(cc2c1Cl)OCO3)c1coc2cc([N+](=O)[O-])ccc12 587280379 CCPIJGHTHFWFAH-UHFFFAOYSA-N 401.783 5.169 5 1 HKBF COc1ccc2nc3cc(Cl)ccc3c(Sc3ccc(NC(C)=O)cc3)c2c1 5498729 PWYMFIRPGIJITI-UHFFFAOYSA-N 408.910 6.160 5 1 HKBF Cc1n([C@H](C)c2ccc3oc4ccccc4c3c2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 96915321 NJVAHWWSIBJBEJ-QGZVFWFLSA-N 412.469 5.549 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccccc2cc2ccccc12 587604393 WFFADEYCGAFNED-LSYYVWMOSA-N 418.448 6.402 5 1 HKBF O=C(c1c(-c2ccc(OC(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645040 IFOYKAOVXLZAAP-UHFFFAOYSA-N 400.259 5.090 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 963221663 ARKBTJHYBZGASI-OSPHWJPCSA-N 406.551 6.243 5 1 HKBF O=[N+]([O-])c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F 1772576537 FDZFGVHVQIGLKU-UHFFFAOYSA-N 421.463 5.370 5 1 HKBF C/C=C/[C@@H](CCC)N(C(=O)c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1857610673 YUNQWOOMTDDWJV-QYDWLILUSA-N 422.510 5.505 5 1 HKBF O=[N+]([O-])c1cc(-c2cccs2)ccc1C[C@H](O)c1ccc(-c2ccncc2)cc1 1857754958 LJVCFCIADIVOGX-QFIPXVFZSA-N 402.475 5.661 5 1 HKBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 29135717 ACGOMTBIEIVSSK-UHFFFAOYSA-N 417.248 5.733 5 1 HKBF COc1cc2cc(C(=O)CC3=CC[N@@+](C)(Cc4ccccc4)CC3)sc2cc1OC 254004835 RWPNUXJCHLIEDT-AREMUKBSSA-N 422.570 5.468 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586969563 VFLGQPSDJVOSBG-UHFFFAOYSA-N 411.462 5.211 5 1 HKBF C[C@@]1(c2ccccc2[N+](=O)[O-])CC(c2ccccc2[N+](=O)[O-])=Nc2ccccc2N1 53297334 JMJRGERCOBNCCF-QFIPXVFZSA-N 402.410 5.355 5 1 HKBF O=C1c2ccccc2-c2cc(-c3ccc4ccc5ccccc5c4c3)nc3ccc(O)c1c23 586992338 VPXRLTXHADJETQ-UHFFFAOYSA-N 423.471 7.125 5 1 HKBF c1ccc(CN(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c2ccccc2)cc1 587195681 HDXGIUGCBXJAIS-UHFFFAOYSA-N 415.500 5.866 5 1 HKBF COc1ccc2c(c1)[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)N(C(C)C)CC2 962087266 DERKXLQRPFKPPR-VWLOTQADSA-N 402.494 5.626 5 1 HKBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc([N+](=O)[O-])c1)c1ncccc1C 963237679 YRDBGKQFIAYGKA-CLOONOSVSA-N 401.510 5.247 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc3scc(-c4ccccc4)n3c2NC2CCCCC2)cc1 299829250 UICXWADNTAVXTH-UHFFFAOYSA-N 418.522 6.383 5 1 HKBF CNc1cccc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)c1 587234681 HYHONKYLIDNMLE-UHFFFAOYSA-N 423.270 5.609 5 1 HKBF COc1ccccc1-c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587931634 LPBIWNPAJFJQGM-UHFFFAOYSA-N 400.481 7.212 5 1 HKBF COc1c(O)cc2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C 1857573220 XXNWCBDPYXMCST-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587376883 UWAXKCOKROOWKZ-HSZRJFAPSA-N 422.868 5.356 5 1 HKBF COc1cc2c3c(c1)O[C@](C)(c1ccc(Oc4ccc([N+](=O)[O-])cc4)cc1)[C@@H](C2)C3=O 587431811 GYLQCLFZDDBFGG-GBXCKJPGSA-N 417.417 5.059 5 1 HKBF CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)CO 2356605989 YKSARTKNUYWHKA-UHFFFAOYSA-N 418.665 8.515 5 1 HKBF Cc1ccc(-c2coc3cc4occ(-c5ccc(C)cc5)c(=O)c4c(O)c3c2=O)cc1 653905159 KUPRIMQSLAYWLN-UHFFFAOYSA-N 410.425 5.556 5 1 HKBF C[N+](C)(CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 28948919 IZXDURNSQNFEDC-UHFFFAOYSA-O 422.376 5.044 5 1 HKBF O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1 103279973 RAJJUUJWYSNNFB-MUZWYTLNSA-N 420.617 5.608 5 1 HKBF COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c(F)c2)c(F)c1 587150024 YEQPXMBGYHLZCD-UHFFFAOYSA-N 415.783 5.745 5 1 HKBF O=C1C[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)Oc2c1ccc1c2CCCC1 587512297 MVJRTFRHGHAFRC-XMMPIXPASA-N 415.445 5.972 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nc3ccccc3nc12 587585726 HGIQRVIDJLPKEX-NVQXNPDNSA-N 420.424 5.192 5 1 HKBF COC(=O)c1ccc2c(c1)S/C(=C/c1ccc3ccc4cccc5ccc1c3c45)S2 6019930 BDMFFLAWPMOTCS-OEAKJJBVSA-N 424.546 7.567 5 1 HKBF CCCCNCC[C@@H](O)c1c2ccccc2c(Cl)c2cc(C(F)(F)F)ccc12 59796711 ATJSACYVPWUQCR-LJQANCHMSA-N 409.879 6.478 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169337970 NNJWHZXKTKFJFJ-KKSFZXQISA-N 407.863 6.231 5 1 HKBF COc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(F)cc1[N+](=O)[O-] 587104641 ZYIHVBPFFORZPH-UHFFFAOYSA-N 400.365 5.169 5 1 HKBF O=c1c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2[nH]c2cc(F)cc(F)c12 1911571338 JTFWVUOQBFHTNJ-UHFFFAOYSA-N 421.321 5.437 5 1 HKBF CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc4ncsc4c3)n2)cc1 64503949 KHWIPWKDGCNSOO-UHFFFAOYSA-N 420.498 5.779 5 1 HKBF CC(C)(C)OC(=O)N[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCCC1 587227514 YTUAWOBWMUOBLG-OAQYLSRUSA-N 415.537 6.625 5 1 HKBF CC(=O)c1ccc(-c2c(-c3ccc([N+](=O)[O-])c4cccnc34)oc3ccccc23)cc1 1857759549 BTEHTURNBBGCNR-UHFFFAOYSA-N 408.413 6.426 5 1 HKBF CCOc1n[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1Br 586980228 SPAPWFMGASDDRB-UHFFFAOYSA-N 407.271 5.421 5 1 HKBF Cc1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587110581 BIVRYJOQWUOFSZ-UHFFFAOYSA-N 417.309 5.602 5 1 HKBF CC1=CCCC(C)(C)[C@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 95588181 DEKATNVGSPOALX-GUYDGBRCSA-N 415.537 6.841 5 1 HKBF O=c1c(Cc2cccc([N+](=O)[O-])c2)c(-c2cccc([N+](=O)[O-])c2)oc2ccc(F)cc12 103217670 SNUUFUDMLUPTRA-UHFFFAOYSA-N 420.352 5.006 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)CC2=O 587466802 OFECISFRWKXTGH-XMMPIXPASA-N 421.424 5.301 5 1 HKBF O=c1c(-c2cccc(F)c2)coc2c1c(O)cc1occ(-c3cccc(F)c3)c(=O)c12 653884630 KGKJISFHWCIJJT-UHFFFAOYSA-N 418.351 5.217 5 1 HKBF Cc1ccc(Cl)cc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1 1857573134 OWOLTUYFZCFIBJ-UHFFFAOYSA-N 404.897 5.235 5 1 HKBF CC1(C)C=Cc2c(cc3c4c2oc2ccccc2c4nn3CCN2CCCCC2)O1 26578191 OBXQTRAFVICNST-UHFFFAOYSA-N 401.510 5.606 5 1 HKBF Cc1ccc(-c2csc(-c3ccc(-c4ccccc4[N+](=O)[O-])c(C(=O)O)c3)n2)cc1 204982998 SICJDIDKRXMVFS-UHFFFAOYSA-N 416.458 6.059 5 1 HKBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587114942 ZZXXNPIJWOXZIA-FQEVSTJZSA-N 405.423 6.131 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)o1 587264971 KTTJUVGRHIZEJX-UHFFFAOYSA-N 413.458 6.549 5 1 HKBF CCCCNCC[C@H](O)c1c2ccccc2c(Cl)c2cc(C(F)(F)F)ccc12 59796710 ATJSACYVPWUQCR-IBGZPJMESA-N 409.879 6.478 5 1 HKBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331780 FLEWUQKDEMZCAO-GGAORHGYSA-N 407.397 5.104 5 1 HKBF O[C@H](C1=CCC=CN1)c1cc(C2C3CC4CC(C3)CC2C4)nc2c1ccc1ccccc12 103187856 QHUGZWIDUMOJJR-RWBDASNQSA-N 422.572 6.352 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)O2 587410664 VKCKAUSGQAVGTJ-IBGZPJMESA-N 410.451 5.077 5 1 HKBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CC2=O 587468775 DJPAYNWLAVNQKV-XMMPIXPASA-N 424.497 5.124 5 1 HKBF CC(C)(C)c1nc(Nc2ccc([N+](=O)[O-])cc2)sc1Cc1ccc2c(c1)OCO2 1772627816 LFOALOWGKRWASO-UHFFFAOYSA-N 411.483 5.412 5 1 HKBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 101420143 KKFYYJJGCQWZED-FGZHOGPDSA-N 405.389 5.637 5 1 HKBF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)nc1C(F)(F)F 587119611 ZHFMJVSAXRGKGR-UHFFFAOYSA-N 421.766 5.055 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587269906 IZVWLXSFTLEBLA-UHFFFAOYSA-N 414.181 5.038 5 1 HKBF Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587411372 UCMDQKWOZUQRDF-NRFANRHFSA-N 420.490 5.652 5 1 HKBF C[C@@H](OC(=O)c1cccc(Cl)c1)c1cccc2nc3c(C(=O)O)cccc3nc12 29467159 CUPWYOIROQAUMN-GFCCVEGCSA-N 406.825 5.053 5 1 HKBF COc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc(Cl)cc1[N+](=O)[O-] 587104859 XUJKVADHBCRMRP-UHFFFAOYSA-N 416.820 5.683 5 1 HKBF Cc1c(Br)ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109426 JMIGGRPYTWWATA-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)O2 587391801 ZDRHDDJYQHVWJN-QHCPKHFHSA-N 404.422 5.158 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(F)cc3c3ncccc13)CC2=O 587471713 MNAJRMSVQUZBAZ-NRFANRHFSA-N 402.425 5.287 5 1 HKBF CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587646686 HBHQRSVBYJMKGG-UHFFFAOYSA-N 413.477 6.120 5 1 HKBF Cc1ccc(-c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c3cccc(Cl)c3n2)o1 587082739 DNHFHQOMOLASCV-UHFFFAOYSA-N 404.813 5.908 5 1 HKBF COCCNc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587264826 KMAAGAYLAOKSDC-UHFFFAOYSA-N 412.449 5.503 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3c3ncccc23)N1 587778263 JAYOXSLWLNSPLN-VERVWZFWSA-N 422.301 5.308 5 1 HKBF COc1cc(F)c2c(=O)c3ccc(Nc4ccc(OC(F)(F)F)cc4)cc3[nH]c2c1 1911581980 UKDYSCMOWNKKPH-UHFFFAOYSA-N 418.346 5.471 5 1 HKBF CCn1c2nc(-c3ccccc3)nc(=O)c-2c(NCCc2ccccc2)c2ccccc21 40937832 RZKGDZQRDQIGRR-UHFFFAOYSA-N 420.516 5.238 5 1 HKBF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCc3ccc([N+](=O)[O-])cc3)cc(C)cc21 84671175 MCJZHNKLEBBXOH-IMSXRSKXSA-N 421.581 7.846 5 1 HKBF O=C(Nc1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587247183 JEGRCZJUDXNIIL-UHFFFAOYSA-N 413.480 6.789 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3c3ccccc23)N1 587818444 DHIUFQWZGZBXGF-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF CC1(C)C[C@]2(c3cc([N+](=O)[O-])ccc3O1)c1ccsc1CCN2Cc1ccco1 962711889 QTWSDNKPXHIQCS-JOCHJYFZSA-N 410.495 5.112 5 1 HKBF c1ccc2c(c1)c1ccccc1c1[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc21 587017429 LJZXTTICMQIACC-UHFFFAOYSA-N 419.509 6.595 5 1 HKBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc([N+](=O)[O-])ccc2CC3)c1 587363092 OQOYCGDXAKGENY-UHFFFAOYSA-N 422.440 6.330 5 1 HKBF CC[C@H](C)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)c(-c3nc4ccccc4[nH]3)c2c1 587640625 BVGKZYUKPSUAKT-HNNXBMFYSA-N 410.477 6.800 5 1 HKBF CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2c1ccc1ccccc12 169337054 FFSKWFYJWQDQJG-MUUNZHRXSA-N 405.626 7.489 5 1 HKBF Clc1ccc(CN2CCC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587077621 UWCVCDWCXGOZLF-QHCPKHFHSA-N 411.936 6.860 5 1 HKBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)O2 587408884 DXYJAFCRLAKCFO-FQEVSTJZSA-N 406.463 5.343 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nc3ccccc3nc12 587585724 HGIQRVIDJLPKEX-BKMJKUGQSA-N 420.424 5.192 5 1 HKBF CCN(CC)CCCN=c1[nH]c(/C=C/c2cccs2)nc2cc3ccccc3cc12 1857557703 YAZSOVPYRSJABJ-OUKQBFOZSA-N 416.594 5.581 5 1 HKBF CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCC1CCCCC1 775607 VCJWMRCPEQUNSX-UHFFFAOYSA-N 419.909 5.511 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2c2ccccc12 587603647 QKQBUJOMPAVZIS-LEAFIULHSA-N 418.448 6.402 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl 587048275 RTUIEBMPLJRNHJ-DUXPYHPUSA-N 413.058 5.711 5 1 HKBF Cc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980248 UHRBPBAUXYTRDQ-UHFFFAOYSA-N 424.254 6.001 5 1 HKBF O=[N+]([O-])c1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3[nH]2)cc1 587631406 LEKCEDKFMMWUKV-UHFFFAOYSA-N 406.804 6.079 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(CCc3ccc(Br)cc3)c12 587644109 MVSUQZCVVOCTEY-UHFFFAOYSA-N 421.294 6.291 5 1 HKBF O=[N+]([O-])C[C@H](c1cccs1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)ccc12 1857570830 VBEHOVKBDIZCCF-MRXNPFEDSA-N 416.424 6.324 5 1 HKBF COc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2c(CC=C(C)C)c1O 14727626 ZNWIPEDYTLRLNK-UHFFFAOYSA-N 410.466 5.089 5 1 HKBF biogenic,in-vitro CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c-2nc1=O)c43 95596613 WIAHPNNINQUXBH-UHFFFAOYSA-N 405.567 5.274 5 1 HKBF O=C(O)c1cc(-c2nc(-c3cccs3)cs2)ccc1-c1ccccc1[N+](=O)[O-] 204990511 MXXSDMRTJCUXBJ-UHFFFAOYSA-N 408.460 5.812 5 1 HKBF O=[N+]([O-])c1cc(-c2nc3cccc(O)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037527 JRQPTJPPLVCSOG-UHFFFAOYSA-N 420.475 5.605 5 1 HKBF O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644154 OJUQQHREDMUWRK-UHFFFAOYSA-N 421.250 5.737 5 1 HKBF CN(C)C[C@@H](O)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2ccccc12 169337801 AMGRMARQRHLFMR-QGZVFWFLSA-N 401.350 5.626 5 1 HKBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586969119 NNPRFRVUZVHFLR-UHFFFAOYSA-N 411.405 5.785 5 1 HKBF Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586969704 WAKBPIVSTVTHOV-UHFFFAOYSA-N 420.332 5.957 5 1 HKBF Cc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1[N+](=O)[O-] 587002194 VBFDUHNGHLTCAB-UHFFFAOYSA-N 412.243 5.274 5 1 HKBF CN(C)c1ccc2c(-c3ccccc3)c3cc4ccc(=[N+](C)C)cc4cc3sc2c1 653827913 JJCKWLGAQAEDKM-UHFFFAOYSA-N 409.578 5.973 5 1 HKBF O=C1NC(=S)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1 29325792 MQINZIYDIKGUAV-JKSUJKDBSA-N 409.470 5.143 5 1 HKBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c3ccccc3c3ccccc3c2[nH]1 586962439 FBBRVEFDMLHQKY-GOSISDBHSA-N 400.507 5.917 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c12 587063609 XJLFLFHIMYWDFV-UHFFFAOYSA-N 419.622 5.209 5 1 HKBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccccc2c2ncccc12 587587980 QVRDNDYBUAPKJW-QFQXNSOFSA-N 420.424 5.192 5 1 HKBF O=C(c1ccccc1C(F)(F)F)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646441 SQQITCFAQSOQFX-UHFFFAOYSA-N 402.250 5.345 5 1 HKBF Cc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980329 VDBGSMQHVDLSPU-UHFFFAOYSA-N 418.144 5.367 5 1 HKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586982927 SAUTVMSNMZTKQC-AWEZNQCLSA-N 402.292 5.606 5 1 HKBF O=C(c1cccc(COc2ccc3c(c2)CCC3)c1)c1coc2cc([N+](=O)[O-])ccc12 587279591 MXMNNAKFXPVLOR-UHFFFAOYSA-N 413.429 5.640 5 1 HKBF COc1ccc(-c2ccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)o2)cc1[N+](=O)[O-] 963114106 WKGOGTBVFIMNCT-FQEVSTJZSA-N 419.264 5.405 5 1 HKBF CCCCCc1nc(-c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163552 DWUXXMNVQCYAMU-UHFFFAOYSA-N 421.501 5.570 5 1 HKBF CCc1cc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl 587052895 RUDMKZBEEKFMMR-UHFFFAOYSA-N 410.655 5.028 5 1 HKBF O=C1CC=C(c2nc3c4ccccc4c4ccccc4c3[nH]2)NN1Cc1ccc(F)cc1 587164750 VZMDVXZQDUZYLC-UHFFFAOYSA-N 422.463 5.286 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)cc1 587272541 UUPDETRLQQKMHR-UHFFFAOYSA-N 403.394 5.092 5 1 HKBF CCc1ccc(O)c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)c2ccc(Cl)cc2)c1 587644724 LKNIZRSSMDKKHD-UHFFFAOYSA-N 420.852 5.896 5 1 HKBF Cc1ccc(NC(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccccc34)cc2)cc1 653699594 IJLQLEZTNLHOGG-UHFFFAOYSA-N 418.500 6.506 5 1 HKBF CCCCCc1nc(-c2cnc(N[C@@H](C)CC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174691 FNEYXNJQSJHNEP-HNNXBMFYSA-N 423.517 5.958 5 1 HKBF Cc1c(Br)cnc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc12 586969791 YIKQKFNSZYIXLE-UHFFFAOYSA-N 421.320 5.352 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1F 587070911 IPZADSVYXDLYNY-UHFFFAOYSA-N 403.200 5.646 5 1 HKBF C[C@@H](Cc1ccccc1[N+](=O)[O-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748023 RSVXDDAOTYLMMH-MRRFBWAASA-N 421.310 5.125 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2c3ccsc3CCN2Cc2ccco2)c1Br 962701880 FEFIYJJGDXXFRB-GOSISDBHSA-N 419.300 5.160 5 1 HKBF CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 34359855 CXRIFSPGYWTKPW-OKBRVIPFSA-N 423.577 5.118 5 1 HKBF O=C(c1cccc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)N1CCCC1 40411224 CLMJUASNOHCNHM-UHFFFAOYSA-N 401.466 5.169 5 1 HKBF Cc1ccc(CN2C(=O)S/C(=C\c3c4ccccc4nc4ccccc34)C2=O)cc1 72124479 XEBUFDRTTQXKLP-UCQKPKSFSA-N 410.498 5.933 5 1 HKBF CN(Cc1ccccc1)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23 95572986 GEDMUUYUVZAERA-UHFFFAOYSA-N 416.484 5.137 5 1 HKBF COc1ccc2oc3nc4ccccc4c-3c(NCCc3c[nH]c4ccccc34)c2c1 95575426 IOWCICIFGHWLKZ-UHFFFAOYSA-N 407.473 6.230 5 1 HKBF Cc1ccc2c3c(c4c(nc13)/C(=C/c1cccc([N+](=O)[O-])c1)CC4)-c1ccccc1C2=O 587098113 NPUAYYFLKGQHEI-GHRIWEEISA-N 418.452 6.150 5 1 HKBF COc1cccc2[nH]c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3c(=O)c12 1911586163 XGEJJCVHMPDHEE-UHFFFAOYSA-N 401.340 5.381 5 1 HKBF O=[N+]([O-])c1cc([N+](=O)[O-])c(C(Cl)=Cc2ccccc2)cc1C=Cc1ccccc1 2356852383 DYSQENXWMXGQJH-UHFFFAOYSA-N 406.825 6.410 5 1 HKBF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)c21 587032041 YDLXPBROUIUGPO-LLVKDONJSA-N 412.902 6.084 5 1 HKBF O=C(c1ccccc1-c1nc2ccccc2s1)c1coc2cc([N+](=O)[O-])ccc12 587280365 BVJDGKLGCWACLG-UHFFFAOYSA-N 400.415 5.849 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cccc2cc3cc(Cl)c(Cl)cc3cc12 59796703 UXFGPCWMXZBIFU-XMMPIXPASA-N 418.408 7.235 5 1 HKBF Cc1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 587390852 RZDWVKLAYKMHHM-QFIPXVFZSA-N 404.422 5.293 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)cc(Cl)c2c2cc(Cl)ccc12 169337888 BWQBSWVZLDQIPD-QRWLVFNGSA-N 408.756 6.519 5 1 HKBF O=C1C[C@H](c2csc(-c3cccc([N+](=O)[O-])c3)n2)Oc2c1ccc1c2CCCC1 587535646 NECHSFRPTFLQJN-HXUWFJFHSA-N 406.463 5.304 5 1 HKBF O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 653887168 ZPLVWLVSHBFYPH-UHFFFAOYSA-N 421.840 5.561 5 1 HKBF CCN(CC)CCn1nc2c3ccccc3n(C)c3c4c(cc1c23)OC(C)(C)C=C4 26577948 ZQYCFNGDUCYFHL-UHFFFAOYSA-N 402.542 5.207 5 1 HKBF COc1ccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3O)cc2Cl)cc1 29217614 HTPUSAHYSFAVBI-UHFFFAOYSA-N 414.801 5.007 5 1 HKBF COc1ccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 474602419 BHTCXYKONZVALL-DVWHMYAVSA-N 412.445 5.247 5 1 HKBF CCCOc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OCCC)c1 40943433 XPRSIFNXVADKOS-UHFFFAOYSA-N 401.506 5.781 5 1 HKBF CCCCCCN(CCCCCC)C[C@@H](O)c1cccc2ccc3ccccc3c12 169337259 UBFGGUHWNVEDNW-HHHXNRCGSA-N 405.626 7.489 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 169338527 KGGACDZQLVHVBN-IERDGZPVSA-N 407.863 6.231 5 1 HKBF CCOC(=O)c1sc(Nc2ccc3cc4ccccc4cc3c2)nc1-c1ccccc1 299870091 VVFPMSGAVCJOLF-UHFFFAOYSA-N 424.525 7.037 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3Br)c(-c3ccccc3F)c12 587645555 CDKLUJPSMMCQME-UHFFFAOYSA-N 411.230 6.312 5 1 HKBF O=C(N/C(=C/c1ccccc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 103173087 ARCNUTCRQQXNKI-UDWIEESQSA-N 418.840 5.053 5 1 HKBF COc1cc2cc(C(=O)[C@@H]3CCC[N@+](C)(Cc4ccccc4)CC3)sc2cc1OC 261137754 MLMBMROIKCDDBW-BCHFMIIMSA-N 424.586 5.548 5 1 HKBF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586982508 LFQGBZCQXBFHRG-ZDUSSCGKSA-N 420.282 5.745 5 1 HKBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586986140 NZISTMRKVLRHPO-UHFFFAOYSA-N 416.820 5.689 5 1 HKBF Brc1ccc(NCCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586996694 XTECXLOFRSUOHU-UHFFFAOYSA-N 418.298 5.076 5 1 HKBF O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644433 CPJROSPRCGFPHD-UHFFFAOYSA-N 411.244 6.281 5 1 HKBF COc1ccc([C@H](c2ccccc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587936752 LXTIXRMVVBCESD-QFIPXVFZSA-N 416.484 5.848 5 1 HKBF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc([N+](=O)[O-])cc2)s1 82219913 OXCYRWCOHMZJRN-LIRRHRJNSA-N 423.542 5.728 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc(C(C)(C)C)nc2c1ccc1ccccc12 169334952 PLBKFIJZKYLKDG-XMMPIXPASA-N 406.614 6.621 5 1 HKBF Oc1ccc(OCc2ccccc2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587782474 LKJPNARCFOPBNK-UHFFFAOYSA-N 416.480 6.821 5 1 HKBF C[C@@](O)(CSCc1ccccc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820613 NOKATNJICCKDFM-GOSISDBHSA-N 410.417 5.236 5 1 HKBF CC(C)(C)c1ccc(-c2cccc3cc(-c4ccccc4C[N+](C)(C)C)ccc23)cc1 95598650 YWFRITBWXCXQNC-UHFFFAOYSA-N 408.609 7.678 5 1 HKBF O=[N+]([O-])c1ccc(CN(Cc2cccnc2)Cc2cccc(C(F)(F)F)c2)s1 96270208 AVPPPQDKNZZMDL-UHFFFAOYSA-N 407.417 5.273 5 1 HKBF CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1 104033492 ACNFCPIEFFTDRE-QFIPXVFZSA-N 424.497 5.669 5 1 HKBF CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\CO 238753671 GMQZSQMIENYQEB-AYNDDZNBSA-N 410.598 5.751 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587055066 QUBCSSBSDVFPBT-DAXSKMNVSA-N 413.058 5.711 5 1 HKBF COc1cccc(OCc2ccc(-c3nc4cc(Cl)c([N+](=O)[O-])cc4[nH]3)cc2)c1 587781519 WBXUIUFNKJYYHL-UHFFFAOYSA-N 409.829 5.379 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 963238138 HVDMYNFGWOIGJF-DFBJGRDBSA-N 418.541 5.009 5 1 HKBF C[n+]1c2ccc(Cl)cc2cc2c1c1ccccc1n2CCCCCC1CCCCC1 66157528 ZJWXTPDEIRJGCG-UHFFFAOYSA-N 420.020 7.566 5 1 HKBF c1ccc(CNc2c(-c3c4ccccc4cc4ccccc34)nc3cnccn23)cc1 95561153 JEFODKSHQBABPQ-UHFFFAOYSA-N 400.485 6.315 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169337978 NNJWHZXKTKFJFJ-IIBYNOLFSA-N 407.863 6.231 5 1 HKBF O=C1C[C@H](c2ccc(COc3ccccc3[N+](=O)[O-])o2)Oc2c1ccc1c2CCCC1 587511354 GGHFLAQKPSPDGV-HSZRJFAPSA-N 419.433 5.352 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nc4ccccc4nc23)N1 587780111 YKUAGOHLGLNYTH-LAJNKCICSA-N 422.301 5.308 5 1 HKBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329788 APMSJEBCZPUWEZ-JTHBVZDNSA-N 407.397 5.022 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1cc(Cl)c1ccccc12 169334000 BFEWGFGGNURVKM-KPZWWZAWSA-N 408.851 5.626 5 1 HKBF O[C@@H](C[N+]12CCC(CC1)CC2)c1cc2ccc(Cl)cc2c2cc(Cl)ccc12 169339565 PWAXTEBYLFIHGL-FGUYIBNPSA-N 401.357 5.964 5 1 HKBF O=[N+]([O-])c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Cl 587125273 RFQPZFWXPHCWNT-UHFFFAOYSA-N 417.796 5.457 5 1 HKBF CCCCOc1cc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2cc1Br 587260851 IWHLEFHVWBJARY-UHFFFAOYSA-N 404.264 5.388 5 1 HKBF O=[N+]([O-])C[C@H](c1cccs1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)ccc12 1857534013 ZGVDYNGUHJBELZ-MRXNPFEDSA-N 417.317 6.612 5 1 HKBF O=[N+]([O-])c1ccc(SC(=S)N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 1669809 IBZKHOCHQLLEIC-UHFFFAOYSA-N 411.464 5.718 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587051135 UZCMDIAZISMDMF-UHFFFAOYSA-N 417.650 5.345 5 1 HKBF Cc1ccc2c3c(cc(-c4cc5c(cc4[N+](=O)[O-])OCO5)nc13)-c1ccccc1C2=O 587097502 JQXWZQSWQOFNHX-UHFFFAOYSA-N 410.385 5.059 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2)cc1 587271230 AVBKVQSMFGYHCY-UHFFFAOYSA-N 401.209 5.632 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 587272122 KKORRAUXMJNEPS-UHFFFAOYSA-N 400.221 6.237 5 1 HKBF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4Cl)o1)[C@@H](C2)C3=O 587419237 KNSFQCJUBUDOFN-LHSJRXKWSA-N 411.797 5.006 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(F)c3)c12 587645748 JHIMTXUEBGUCNV-UHFFFAOYSA-N 401.224 6.856 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccccc3nc3ccccc23)N1 587780241 ZNTHNAUOYZOTPO-JCQPUDPBSA-N 421.313 5.913 5 1 HKBF O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)cc(Cl)cc2c2ccc(Cl)cc12 169338918 ICDSOINTQFZHPW-SPLOXXLWSA-N 408.756 6.519 5 1 HKBF O=[N+]([O-])c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1[N+](=O)[O-] 587950510 ROOLAPAXXLKFOD-KHPPLWFESA-N 402.366 5.342 5 1 HKBF O=[N+]([O-])c1ccc(-c2nc(NC3CCCC3)ncc2-c2nc3ccccc3s2)cc1 82174094 LZMXWFACWOROLM-UHFFFAOYSA-N 417.494 5.683 5 1 HKBF COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587046762 LURXDEWYIVPAFI-AATRIKPKSA-N 415.877 5.647 5 1 HKBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587160510 UJPYCGMHMVRYNJ-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccccc2cc2ccccc12 587604391 WFFADEYCGAFNED-LBNVMWSVSA-N 418.448 6.402 5 1 HKBF COc1cc(Cc2[nH]c3cc(F)ccc3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O 587635384 GTPZYAVYDWBUHD-UHFFFAOYSA-N 406.413 5.496 5 1 HKBF O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644766 BTRBSJGCJKAHPQ-UHFFFAOYSA-N 413.149 5.088 5 1 HKBF CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2OC)c1 1772597545 RQAQNPYTHBOHCN-UHFFFAOYSA-N 409.467 5.049 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c12 586894651 ADIPLDCZEUFFHX-UHFFFAOYSA-N 424.254 5.060 5 1 HKBF O=c1c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2[nH]c2cc(F)cc(F)c12 1911579217 NPWOTKBEACGCFG-UHFFFAOYSA-N 421.321 5.437 5 1 HKBF CC(=C/C=C/C(C)=C/C=C/C=C/C(C)=C/CO)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C 238771838 NBWFMUXMPATXOY-KUFOGNNNSA-N 410.598 5.751 5 1 HKBF CC(=O)NCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299858228 DLFGWZUCLJXJJZ-DHZHZOJOSA-N 416.912 5.155 5 1 HKBF O=[N+]([O-])c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587020116 XNICVILXVOPLPD-UHFFFAOYSA-N 421.301 5.009 5 1 HKBF O=[N+]([O-])c1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Cl 587110077 MRKUFWIIVKQVMZ-UHFFFAOYSA-N 423.700 5.753 5 1 HKBF O=C1[C@@H]2[C@@H](c3ccccc3)CC=C[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 13830651 JCFITQHCTOJUNS-XDZVQPMWSA-N 424.500 5.654 5 1 HKBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 587158570 OMICMYBGIHFIIP-UHFFFAOYSA-N 416.455 7.155 5 1 HKBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)C(F)(F)F)cc1 587644851 DQPOXHOIRDQIEV-UHFFFAOYSA-N 414.286 5.132 5 1 HKBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587846134 UCERIUWHHNDZQM-KWKYVRJSSA-N 419.703 5.009 5 1 HKBF O=[N+]([O-])c1cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)ccc1C(F)(F)F 963007042 JMWYCHYXGJXEKM-LJQANCHMSA-N 419.428 5.218 5 1 HKBF CC(C)=CCCC(C)=CCCc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 2356432963 QZJYZYBNDHQCSP-UHFFFAOYSA-N 418.489 6.729 5 1 HKBF CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCC 4214420 AZXBVHJRHKMVAJ-RTBURBONSA-N 409.914 5.178 5 1 HKBF CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 38474226 XMVZKWJSNYQWPQ-MUZWYTLNSA-N 421.605 5.672 5 1 HKBF COc1cc2c3c(cc4ccccc4c3c1OC)N(c1ccc(C(C)(C)C)cc1)C2=O 40879471 UZYYPNHORJNTIO-UHFFFAOYSA-N 411.501 6.600 5 1 HKBF COc1cc2cc3c4cc(-c5ccccc5)c(OC)cc4cc[n+]3c(C)c2cc1OC 95575572 VDUJIABOOQIMSV-UHFFFAOYSA-N 410.493 5.733 5 1 HKBF Clc1ccc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)nc2c1Cl 587083106 GSNXQMTVOIIWKW-UHFFFAOYSA-N 414.295 7.391 5 1 HKBF O=C(c1ccc(F)cc1)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645615 ZWVGVUUEUIZZIE-UHFFFAOYSA-N 402.250 5.100 5 1 HKBF CCc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 82163688 IIDVTURHLVPYBK-HUUCEWRRSA-N 423.542 5.220 5 1 HKBF O=[N+]([O-])c1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)c1 103915723 BRGUXORVNQGJDT-AVRWGWEMSA-N 411.461 6.224 5 1 HKBF Cc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c3cccc(Cl)c3n2)o1 587082675 AVDOOBCDQISZRP-UHFFFAOYSA-N 422.803 6.047 5 1 HKBF O=[N+]([O-])c1ccc2oc(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)cc2c1 1857638601 QSCWLJDKCZKPQK-QHCPKHFHSA-N 400.459 6.699 5 1 HKBF Cc1cc(Br)ccc1OCc1nc2c3ccccc3c3ccccc3c2[nH]1 586981038 JVUQCQGWOBCUKK-UHFFFAOYSA-N 417.306 6.519 5 1 HKBF Brc1nc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C2CC2)s1 587011651 AZSPLCVPPYKUFF-UHFFFAOYSA-N 422.311 5.423 5 1 HKBF CC(C)(C)OC(=O)N[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCCC1 587227513 YTUAWOBWMUOBLG-NRFANRHFSA-N 415.537 6.625 5 1 HKBF O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645685 HUMLCZUSEVQKQD-LJQANCHMSA-N 424.815 5.752 5 1 HKBF CC(C)c1cc2oc3cc(=O)c4cc(C[C@H](C)O)cc5oc6cc(=O)c(c1)c2c6c3c54 146031112 ZKGCUXHSTWNFRA-LBPRGKRZSA-N 412.441 5.281 5 1 HKBF O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccc(C(F)(F)F)cc12 169339459 APMUIAUUVSIJRU-HRAATJIYSA-N 407.863 6.231 5 1 HKBF Cc1ccc2c3c(cc(-c4cc5ccccc5c5ccccc45)nc13)-c1ccccc1C2=O 587099391 HACPIYHEMOEIBO-UHFFFAOYSA-N 421.499 7.728 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1 587265143 OIRUJHMOZCBMNK-UHFFFAOYSA-N 407.389 5.495 5 1 HKBF Cc1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1[N+](=O)[O-] 586998339 JQEDZUPXJMVLEM-VQHVLOKHSA-N 424.254 5.972 5 1 HKBF COc1ccc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc1O 587786197 JSDHTQSYDIDZGC-UHFFFAOYSA-N 418.456 5.708 5 1 HKBF CCc1cnc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cccc([N+](=O)[O-])c2)s1 82163495 RGVQQUUHDSBQSY-LIRRHRJNSA-N 423.542 5.728 5 1 HKBF COc1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1 1857605245 AXABXHVNVQIZNX-KRWDZBQOSA-N 412.898 5.967 5 1 HKBF COc1ccccc1[C@@H]1CC[C@H]2CC[C@@H](c3ccccc3OC)[N@+]21Cc1ccccc1 1857623646 QXAOBRNWGOLTMU-VFPRQVECSA-N 414.569 6.459 5 1 HKBF O[C@@H](c1cc(-c2ccc(Cl)cc2)nc2c1ccc1ccccc12)[C@H]1CCCCN1 1591932 FUXMBPSLHZVANC-RDGATRHJSA-N 402.925 5.884 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4o3)c12 587646641 YZONIQIBZSGIMD-UHFFFAOYSA-N 423.350 6.570 5 1 HKBF COc1cccc2c1CCC[C@@H]2CCC[N+]1(C)CC[N+](C)(C2CCCCC2)CC1 45287896 SEIKRMHLHSCJNZ-BQEUZBSESA-N 400.651 5.135 5 1 HKBF O=[N+]([O-])c1cc(Br)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587054575 ORJXHLRAPVTNGP-SNAWJCMRSA-N 413.058 5.711 5 1 HKBF Cc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br 587110290 YNQRIOWGQXFHNI-UHFFFAOYSA-N 414.181 5.152 5 1 HKBF CC(C)[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OC(C)(C)C 587197528 GHXZNROXNJVTBU-HXUWFJFHSA-N 405.502 5.223 5 1 HKBF CCN1CCC[C@H]1CNC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12 1857552840 JINDXPZEGUYFQQ-INIZCTEOSA-N 410.521 5.170 5 1 HKBF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Nc4ccccc4)c([N+](=O)[O-])cc3C(=O)C[C@H]21 103290362 FBGWPMIMVRTVDZ-GMKZXUHWSA-N 422.481 5.162 5 1 HKBF O=C(c1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645703 BLFWKZKPIFHYQB-UHFFFAOYSA-N 402.250 5.507 5 1 HKBF CCCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])c1 1772615630 PGUNDTXQCOOBCT-UHFFFAOYSA-N 403.438 5.052 5 1 HKBF C/C(=C\c1cccc([N+](=O)[O-])c1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587749424 XXCJDFWQZNJPJL-ZFLZELFPSA-N 405.267 5.175 5 1 HKBF COc1cc2cc(-n3cc(C)c4ccccc43)n3c4ccccc4c(C)c3c2cc1OC 1857771965 VKTOLWSMKGHKDP-UHFFFAOYSA-N 420.512 6.824 5 1 HKBF CC(C)(Oc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586995356 FEIJBFZWBUAFPP-UHFFFAOYSA-N 410.655 5.201 5 1 HKBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587076539 VYQNUIXMBYPRJP-UHFFFAOYSA-N 410.868 5.474 5 1 HKBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 587055506 IBLDOBNGJOVVRU-UHFFFAOYSA-N 404.209 5.617 5 1 HKBF COc1cccc(-c2cc(Cn3nc([N+](=O)[O-])cc3C)nc3c2oc2ccccc23)c1 587364043 ZKXQXZHGRGNGJG-UHFFFAOYSA-N 414.421 5.118 5 1 HKBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)C(F)(F)F)cc1 587645233 LOKGPKGGEILNAM-UHFFFAOYSA-N 414.286 5.132 5 1 HKBF Cc1ccccc1-c1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587958942 IJJUIFLPIBXVAN-UHFFFAOYSA-N 422.282 5.800 5 1 HKBF O=[N+]([O-])c1ccc(Nc2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)cc1 28337198 CYBHVUCIRAFNIR-UHFFFAOYSA-N 411.510 5.013 5 1 HKBF COc1cccc(CN2C(=O)/C(=C\C=C\c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 474609015 NOZXPLNYHOGSHE-KIHAFNLDSA-N 412.445 5.247 5 1 HKBF O=[N+]([O-])c1cnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 587057963 XOTGSUZCQFNGJK-UHFFFAOYSA-N 405.197 5.012 5 1 HKBF COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cc(F)ccc23)cc([N+](=O)[O-])c1O 587635800 NDOVYMPJJDTRDY-UHFFFAOYSA-N 406.413 5.496 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc4ccccc4nc23)N1 587776228 CDXSNPNMPSTRLB-AMXDTQDGSA-N 422.301 5.308 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2cccc(C(F)(F)F)c2c2ccc(Cl)cc12 169339000 SHSBMQHKNMIIIG-QRWLVFNGSA-N 407.863 6.231 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl 587047338 GTOPODYSBOMOPL-DUXPYHPUSA-N 414.046 5.106 5 1 HKBF O=C1c2ccccc2-c2cc(-c3cc(Cl)cc([N+](=O)[O-])c3O)nc3ccc(O)c1c23 586985945 MQXQMSHFIVIMBG-UHFFFAOYSA-N 418.792 5.086 5 1 HKBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 587047302 FPZAJWORPPOYSR-RQOWECAXSA-N 402.159 5.967 5 1 HKBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl 587048530 XABMTRLLUVLTMS-DUXPYHPUSA-N 418.709 5.344 5 1 HKBF CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(COc2ccccc2Cl)cc1 1857620112 PVKTUDLGGUBYKG-UHFFFAOYSA-N 414.845 5.085 5 1 HKBF CN(C)c1ccc2c(CCCOc3ccccc3)c3ccc(=[N+](C)C)cc-3sc2c1 40950197 LEJLHLJAWSUDRP-UHFFFAOYSA-N 417.598 5.116 5 1 HKBF Cc1cc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1[N+](=O)[O-] 587015244 IFZNJWWFMZUUMA-UHFFFAOYSA-N 405.266 5.877 5 1 HKBF O=[N+]([O-])c1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1[N+](=O)[O-] 587062123 CDIKMYXMRHVRAE-UHFFFAOYSA-N 408.801 5.291 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccccc3[N+](=O)[O-])o1)CC2=O 587468200 BXIAFEPYNHRMNH-QFIPXVFZSA-N 423.421 5.131 5 1 HKBF Cc1ccc(-c2csc3ncn4c(=O)c5cc(Br)ccc5nc4c23)cc1 45391727 LHCGOIRDDMEWIR-UHFFFAOYSA-N 422.307 5.195 5 1 HKBF COc1cccc(-c2cc(F)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)c1 587160472 SZLFOYLSZYXMTC-UHFFFAOYSA-N 420.447 6.141 5 1 HKBF COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587645131 WWPSJQFVTOEMFS-LJQANCHMSA-N 420.852 5.701 5 1 HKBF O=[N+]([O-])c1ccc(-c2cc(O)n(CCCc3ccc(Cl)c(Cl)c3)c2O)cc1 587942832 BRTIQAGOXVMPJZ-UHFFFAOYSA-N 407.253 5.414 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1cccc2cc3cc(Cl)c(Cl)cc3cc12 59796702 UXFGPCWMXZBIFU-DEOSSOPVSA-N 418.408 7.235 5 1 HKBF Cc1ccc(-c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c3cccc(Cl)c3n2)o1 587083518 YEJKJMWXVIGIRU-UHFFFAOYSA-N 404.813 5.908 5 1 HKBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cc1 587272680 OYMJNAYZJGKEIS-UHFFFAOYSA-N 410.773 5.492 5 1 HKBF CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1ccc(CC)o1)CC2=O 587468897 BQMISKPTIYJQGA-XMMPIXPASA-N 421.449 5.317 5 1 HKBF CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C 2356379837 JJMKRPXUHIPSAW-UHFFFAOYSA-N 404.682 9.933 5 1 HKBF COc1ccc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)ccc2c1 13817979 HGNLDJVZZAVQMR-UHFFFAOYSA-N 402.558 5.868 5 1 HKBF Nc1cccn2c(NC3CCCCC3)c(-c3c4ccccc4cc4ccccc34)nc12 95563925 UWJMZTIYMLGVPZ-UHFFFAOYSA-N 406.533 6.635 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc([N+](=O)[O-])c1 587135496 DIUZVZAOKLPFGD-UHFFFAOYSA-N 417.227 5.954 5 1 HKBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cn1nc(C)cc1C)c1cccc([N+](=O)[O-])c1 963238142 HVDMYNFGWOIGJF-UQBPGWFLSA-N 418.541 5.009 5 1 HKBF COc1ccc2c(ccn2CCCCCCOC(=O)Cc2ccc([N+](C)(C)C)cc2)c1 26994898 AGLNBNXBYIKJGO-UHFFFAOYSA-N 423.577 5.193 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc(C(C)(C)C)nc2c1cc(C)c1ccccc12 169335271 RWCATFYOQHFDOQ-RUZDIDTESA-N 420.641 6.930 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2cc(C(F)(F)F)ccc2c2ccccc12 169338920 XDJPVOAYAHQTGG-XMMPIXPASA-N 417.515 6.947 5 1 HKBF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587239037 SUKWLKMOMOVZHR-UHFFFAOYSA-N 407.861 5.734 5 1 HKBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)o1 587265653 ROJJBTVCPYXCPI-UHFFFAOYSA-N 402.179 5.300 5 1 HKBF COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587644990 TWLTZELUSIDBDM-FQEVSTJZSA-N 420.852 5.701 5 1 HKBF O=C1[C@@H](Oc2ccccc2)[C@H](c2ccccc2)N1c1cc2ccccc2c2ccccc12 29312446 BTLGACBKCLNSIZ-NSOVKSMOSA-N 415.492 6.529 5 1 HKBF O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)n1ccc2cc([N+](=O)[O-])ccc21 40762933 LYKOXXQTQZMQRV-UHFFFAOYSA-N 402.250 5.276 5 1 HKBF CC(=O)N(Cc1c2ccccc2cc2ccccc12)[C@H](CO)Cc1c[nH]c2ccccc12 71330947 AHJZWXJZBHFCCI-QHCPKHFHSA-N 422.528 5.426 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2oc2ccc(Cl)cc12 95574742 KCIUBAJVEBRSGC-INIZCTEOSA-N 409.961 6.662 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084748 GIIXUAFDESSFBT-UHFFFAOYSA-N 403.623 5.102 5 1 HKBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587241802 IQAIVQMAHFTLNI-UHFFFAOYSA-N 409.493 5.701 5 1 HKBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587269332 BEMQZUVCRYULOD-UHFFFAOYSA-N 403.282 5.294 5 1 HKBF CN1CCc2c(Br)cccc2[C@H]1c1c2ccccc2nc2ccccc12 963280237 NZVHEZDZQBCRMJ-QHCPKHFHSA-N 403.323 5.728 5 1 HKBF COc1ccc2cc(-c3nc4cc(F)ccc4[nH]3)c3cc(OC)c(OC)cc3c2c1 1857643675 TWSCKNODGTYCKM-UHFFFAOYSA-N 402.425 5.701 5 1 HKBF CCCCN(CCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cnccc12 169336657 NPYJDSOBEFGXRA-HSZRJFAPSA-N 419.396 6.630 5 1 HKBF O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3cc(Br)ccc3O)[nH]c2c1 587643143 BKNCFWGVJVKUTM-UHFFFAOYSA-N 409.239 5.878 5 1 HKBF CCCCCc1nc(-c2cnc(N[C@@H](C)CC)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163792 HDFWTZJWCUDZMO-HNNXBMFYSA-N 423.517 5.958 5 1 HKBF O[C@@H](C[C@H]1CCCCN1)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 169337975 NNJWHZXKTKFJFJ-IERDGZPVSA-N 407.863 6.231 5 1 HKBF CCCCCCC(=O)OCn1ccc2c(C)c3nc4ccc(OC)cc4c3c(C)c2c1 377840461 VGDBRWLLWNBPPH-UHFFFAOYSA-N 418.537 6.439 5 1 HKBF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1 586981608 RETMHGFKMVXGEH-UHFFFAOYSA-N 411.259 5.308 5 1 HKBF O=[N+]([O-])c1c(Br)ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c12 587074291 WGZFKPQGURGYPG-UHFFFAOYSA-N 406.667 5.161 5 1 HKBF Cc1c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cnn1-c1ccc(Cl)cc1 587075824 NEZMZIOFBBRSDJ-UHFFFAOYSA-N 408.892 6.684 5 1 HKBF COC(=O)c1cccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c12 587136751 LULGUPWHADWRKP-UHFFFAOYSA-N 405.385 5.039 5 1 HKBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587158930 SUGQLJGTRMKGME-UHFFFAOYSA-N 418.431 5.945 5 1 HKBF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587329938 AXUPPWAZSMRDQA-JTHBVZDNSA-N 407.397 5.022 5 1 HKBF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587035071 UCDVXUSERGLQKJ-CYBMUJFWSA-N 412.446 5.096 5 1 HKBF COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc(F)c12 587635829 NWPCDZWMBJXFOA-UHFFFAOYSA-N 406.369 5.496 5 1 HKBF CCOC(=O)c1[nH]c2ccc([C@H](C)CC)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O 587642063 JDOPKJRECTYGNZ-CYBMUJFWSA-N 424.453 5.011 5 1 HKBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccc4ccccc4c23)N1 587818474 DSWOREFEGYBRND-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF CCCCN(CCCC)C[C@H](O)c1ccc2ccc3cccc(C(F)(F)F)c3c2c1 169337067 BKIKOTANLUWQRL-QHCPKHFHSA-N 417.515 6.947 5 1 HKBF COc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1OC)C=CC(C)(C)O4 169430656 XMZHFNRJGBRHGV-UHFFFAOYSA-N 422.477 5.362 5 1 HKBF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271950 LUWIIAYASGCPPS-UHFFFAOYSA-N 417.421 5.036 5 1 HKBF COc1cc2c3c(c1)OC1(c4cccc5ccc6ccc7cccc1c7c6c45)[C@@H](C2)C3=O 587447849 WHOBNCZEESKXRD-QFIPXVFZSA-N 414.460 6.159 5 1 HKBF Cc1ccc2c3c(c4c(nc13)CCc1ccc([N+](=O)[O-])cc1C4)-c1ccccc1C2=O 587096438 BGYUAGQDWYELLI-UHFFFAOYSA-N 406.441 5.352 5 1 HKBF Cc1cc([N+](=O)[O-])ccc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512464 OGJKTBLYWXFDKR-HSZRJFAPSA-N 402.450 5.279 5 1 HKBF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587122708 WQRAVUFNAMKSDC-UHFFFAOYSA-N 420.372 5.469 5 1 HKBF O=[N+]([O-])c1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3[nH]2)cc1 587631448 MPEPIVVUUIXCFX-UHFFFAOYSA-N 406.804 6.079 5 1 HKBF O=[N+]([O-])c1c(Cl)c(Cl)c2c(c1Cl)Oc1cc(Cl)c(Cl)cc1O2 5784196 KETCEPLTWRYWQQ-UHFFFAOYSA-N 401.416 6.760 5 1 HKBF Clc1ccc(-c2cnccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587077192 TTZKDHSBPOXXIA-UHFFFAOYSA-N 407.864 6.042 5 1 HKBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(Nc3ccc(Br)cc3)c12 587643336 DGXKXUKOGAOAGC-UHFFFAOYSA-N 408.255 6.249 5 1 HKBF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1 587860564 XACCWKUCAQBULS-UHFFFAOYSA-N 420.252 5.047 5 1 HKBF O[C@@H](C[C@@H]1CCCCN1)c1cc2ccc(Cl)cc2c2cc(Cl)c(Cl)cc12 169338874 ITHVUGSODBQBFW-QKKBWIMNSA-N 408.756 6.519 5 1 HKBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098700 SMCIFRKJXPGPKY-UHFFFAOYSA-N 419.440 6.120 5 1 HKBF O=C(c1ccc(Cl)c(Cl)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587644782 BVBKSOFZWWDNIL-UHFFFAOYSA-N 403.143 5.633 5 1 HKBF C[C@@H](Cc1ccccc1[N+](=O)[O-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587748024 RSVXDDAOTYLMMH-RDXCRGQUSA-N 421.310 5.125 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])c(Cl)s2)N1 587846139 UCERIUWHHNDZQM-ZIDLFYJRSA-N 419.703 5.009 5 1 HKBF CC[C@H]1C[N@@+]2([O-])CC[C@@H]1C[C@H]2[C@H](O)c1cc(-c2ccccc2)nc2ccc(OC)cc12 253677568 AGLGJFNSMGBVNR-UCSGYOTESA-N 418.537 5.077 5 1 HKBF Cc1ccc2c3c(cc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)nc13)-c1ccccc1C2=O 587096521 CPKBZIYOSMAFMZ-UHFFFAOYSA-N 411.373 5.238 5 1 HKBF C[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccccc1C(F)(F)F 587096807 BRHFPWZEKLIWCW-QMMMGPOBSA-N 414.181 5.404 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(C)(C)c2ccc([N+](=O)[O-])cc2)N1 587751110 KTCSFDLRNKBVIN-MPBGBICISA-N 421.310 5.224 5 1 HKBF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587949317 RLDBDWBXZGZOOH-ULYRPOKDSA-N 421.497 5.756 5 1 HKBF CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CO 2356733172 CCBSGQLGLZMKTB-UHFFFAOYSA-N 418.665 8.681 5 1 HKBF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 82174121 ACCWHTBPAPHDTL-UHFFFAOYSA-N 421.482 5.306 5 1 HKBF CCN(CC)CCC[C@H](C)Nc1c2c3ccccc3nc-2n(C)c2cc(Cl)ccc12 101636008 AZTKBPQCLNPVQN-KRWDZBQOSA-N 423.004 6.407 5 1 HKBF Fc1cccc2c1nc(OCC1CCN(CCCC(F)(F)F)CC1)c1ccccc12 103248560 XAZQFACBIVPCDI-UHFFFAOYSA-N 420.450 5.960 5 1 HKBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(C(F)(F)F)cc4[nH]3)cc2)cc1 587271468 CGVWRZXXYMPZSN-UHFFFAOYSA-N 400.316 5.344 5 1 HKBF O=c1c2cc(Nc3ccccc3OC(F)(F)F)ccc2[nH]c2cc(F)cc(F)c12 1911584535 BTIDZNGNDHAVBY-UHFFFAOYSA-N 406.310 5.602 5 1 HKBF O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1Cl 40393812 GSYREVQWTJXUFJ-UHFFFAOYSA-N 413.160 5.980 5 1 HKBF O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1F 96269771 MHBFJQBMIDGZOZ-UHFFFAOYSA-N 424.435 5.211 5 1 HKBF Cc1ccc(-c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c3cccc(Cl)c3n2)o1 587083420 SUODELRYBJAISC-UHFFFAOYSA-N 405.801 5.303 5 1 HKBF O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646157 VXIKAGXQVGKOPX-GOSISDBHSA-N 424.815 5.752 5 1 HKBF CN(C)c1ccc2c(-c3ccccc3)c3ccc4cc(=[N+](C)C)ccc4c3sc2c1 653827894 DDRXNKVFBSKVFR-UHFFFAOYSA-N 409.578 5.973 5 1 HKBF O[C@@]1(c2ccc3ccccc3c2)c2c(c3ccccc3c3ccccc23)C2=NCCN21 1662064 VEOHXIUSARYQDP-NDEPHWFRSA-N 400.481 5.415 5 1 HKBF O=c1c2cc(Nc3ccc(OC(F)(F)F)cc3)ccc2[nH]c2cc(F)cc(F)c12 1911572828 VRCIGXNIYNLVDV-UHFFFAOYSA-N 406.310 5.602 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc([N+](=O)[O-])cc3)o1)CC2=O 587471512 SGSPTOMBRSLOMT-QFIPXVFZSA-N 423.421 5.131 5 1 HKBF O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587644712 LBTGXKGKBPTMDA-SFHVURJKSA-N 406.825 5.613 5 1 HKBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nc4ccccc4nc23)N1 587776232 CDXSNPNMPSTRLB-VERVWZFWSA-N 422.301 5.308 5 1 HKBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587950625 DNYANAPSLYXMAA-NSHDSACASA-N 412.243 5.527 5 1 HKBF O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1 68584011 HPAZSYZAOQOCQB-UHFFFAOYSA-N 423.235 5.067 5 1 HKBF biogenic COc1cc(F)c2c(=O)c3cc(Oc4ccc(OC(F)(F)F)cc4)ccc3[nH]c2c1 1911575355 YHYQXOUDTGEINO-UHFFFAOYSA-N 419.330 5.520 5 1 HKBF Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2cccc3c2c1-c1ccccc1C3=O 587104858 XTRPCTJGONCXTR-UHFFFAOYSA-N 400.821 5.983 5 1 HKBF Cc1c(O[C@H](C)c2cc3c4c(cccc4n2)CC3)ccc2c1oc(=O)c1ccccc12 587215817 NQQQINIDKVYGKQ-MRXNPFEDSA-N 407.469 6.041 5 1 HKBF C[C@]1(c2cc(Br)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587505768 VMCBQLCULYEJRW-HXUWFJFHSA-N 416.271 5.117 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2CCC[C@@]23c2ccsc2CCN3Cc2cccnc2)cc1 963003968 FCZZEHGIYKXXRL-REWPJTCUSA-N 405.523 5.273 5 1 HKBF C[C@@H](C(=O)O)c1ccc2c3cc(Cl)ccc3n(Cc3cccc([N+](=O)[O-])c3)c2c1 35079443 UYCVWZAESFUVLA-CYBMUJFWSA-N 408.841 5.593 5 1 HKBF COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(Cl)c1OCC(C)C 587046985 QOFBGHFUOFERNL-FPLPWBNLSA-N 401.850 5.338 5 1 HKBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587160266 OKZWQFPVIBEMKE-UHFFFAOYSA-N 404.117 5.059 5 1 HKBF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2=O 587464316 OBVKCWLZBXCEMR-HXUWFJFHSA-N 423.387 5.238 5 1 HKBF COc1ccc(-c2cc(-c3ccccc3[N+](=O)[O-])nc3cnc4ccccc4c23)cc1 1772647906 FXDMBEJMVQYDDP-UHFFFAOYSA-N 407.429 6.034 5 1 HKBF O=c1cc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2ccc3ccccc3c2o1 1857564048 PGZCQKBUVHELMH-UHFFFAOYSA-N 424.422 5.292 5 1 HKBF O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F 71316867 GDVQGEPAYBCRBS-UHFFFAOYSA-N 424.357 5.087 5 1 HKBF O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4cccs4)CC(O)=C32)cc1 104020975 BFZRRHJMIKJCII-WNSKOXEYSA-N 417.490 6.285 5 1 HKBF c1ccc(COc2ccc(-c3nc4ccccc4c4c3[nH]c3ccccc34)cc2)cc1 299863191 OTVYDHMAEFBUCT-UHFFFAOYSA-N 400.481 7.115 5 1 HKBF c1cncc(-c2noc(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)n2)c1 586966738 KIQYWRXGSYTLNP-UHFFFAOYSA-N 409.474 5.607 5 1 HKBF O=[N+]([O-])c1c(Br)cccc1-n1c(-c2ccccc2)ccc1-c1ccccc1 587937267 OUGUDWJLSWDQOB-UHFFFAOYSA-N 419.278 6.482 5 1 HKBF O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O 29213498 XGKBLVGFQCOFRG-UHFFFAOYSA-N 419.220 5.652 5 1 HKBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Cl 587067690 KXWYFLXJYQINKL-UHFFFAOYSA-N 414.248 5.604 5 1 HKBF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])cc1OC 587105165 QVQIIMYNSHSMHM-UHFFFAOYSA-N 412.401 5.039 5 1 HKBF CC(/C=C\CO)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C 15156991 GMQZSQMIENYQEB-IZFYZYBLSA-N 410.598 5.751 5 1 HKBF endogenous,in-man c1ccc(CNCc2cccc3cc4cccc(CNCc5ccccc5)c4nc23)cc1 45284377 RPOHCDDZKKLDLX-UHFFFAOYSA-N 417.556 5.968 5 1 HKBF CC1=CCCC(C)(C)[C@@H]1/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])C1 95592016 COVMBZWDQXUVLQ-GYZDXYIJSA-N 415.537 6.841 5 1 HKBF COc1cc2oc3c(O)c(OC)c(CC=C(C)C)cc3c(=O)c2c(O)c1CC=C(C)C 145792350 IRSFNWZFZSTWDA-UHFFFAOYSA-N 424.493 5.392 5 1 HKBF Cc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1[N+](=O)[O-] 587040447 MGVDVDNVWKGIHM-UHFFFAOYSA-N 402.479 5.625 5 1 HKBF Cc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587260824 HLTLHEIVLQLCAH-UHFFFAOYSA-N 416.153 5.108 5 1 HKBF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cccc([N+](=O)[O-])c3)n1)CC2=O 587472552 JOURUJZQGYSGDF-QFIPXVFZSA-N 404.422 5.021 5 1 HKBF COc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c(C)c1[N+](=O)[O-] 587496501 DJKMCNHTDGRQKY-JOCHJYFZSA-N 415.873 5.325 5 1 HKBF C[C@@]1(c2cc(Br)cc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503454 OELNWQDXLMJGQC-FQEVSTJZSA-N 416.271 5.117 5 1 HKBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3c3ccccc23)N1 587824619 XUDPGOWILUKCLW-LFPIHBKWSA-N 420.325 6.518 5 1 HKBF CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174917 IJNNQNFMPHDROA-UHFFFAOYSA-N 415.453 5.138 5 1 HKBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 103234808 NYPOBCZLZJTPHI-XRMCVISESA-N 405.389 5.637 5 1 HKBF Cc1c(F)cccc1-c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc([N+](=O)[O-])c1 587136288 FSQKRCCNHZOJPZ-UHFFFAOYSA-N 416.412 5.137 5 1 HKBF C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(S)cc1)Cc1ccc(S)cc1 73275264 PLQOVCLSGHWZLQ-UHFFFAOYSA-P 418.716 5.677 5 1 HKBF C[C@]1(c2ccc(Br)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587496956 BAZZPHDEZDWNMM-HXUWFJFHSA-N 416.271 5.117 5 1 HKBF COc1ccccc1[C@@H]1CCC2CC[C@@H](c3ccccc3OC)[N+]21Cc1ccccc1 73296965 QXAOBRNWGOLTMU-BQXZNZDXSA-N 414.569 6.459 5 1 HKBF O=[N+]([O-])c1ccc(C[n+]2ccc3c4ccccc4n(CCCc4ccccc4)c3c2)cc1 96922749 OKWNROBQMWKDKM-UHFFFAOYSA-N 422.508 5.671 5 1 HKBF CCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 169337927 LCTNMDZSYMSLEE-GOSISDBHSA-N 401.350 5.674 5 1 HKBF COC(=O)Nc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCCN1C3 473111568 ADMFQJXQEPLGTJ-INIZCTEOSA-N 420.509 5.099 5 1 HKBF Brc1ccc(NCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586996551 VSZKFXDLKFVZED-UHFFFAOYSA-N 418.298 5.076 5 1 HKBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2ccc([C@@H](C)CC)cc12 587642156 PRQICBUYJPPDBQ-LBPRGKRZSA-N 400.862 6.087 5 1 HKBF