smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)o1 8767873 WXIQNIXNFAJGOP-XGCFFSCVSA-N 500.536 4.740 10 40 KJCB O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1 104367019 TYVGSUNDGUVWQC-RUFRKCMOSA-N 608.588 4.822 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(=O)O 225396741 CWAJYKHQENWOGP-CLJLJLNGSA-N 561.689 4.736 10 40 KJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408533865 PJYAGEUZULBZJA-CLCOLTQESA-N 556.070 4.576 10 40 KJCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408536820 SOUMJZXOBYHNDA-ZMLBWKPJSA-N 580.322 4.782 10 40 KJCB CCOc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccccc1 408538082 IVNZAMBQGSJLNS-UHFFFAOYSA-N 523.010 4.811 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1Cc1ccccc1F 408867756 NAZSMDQDOZQQMH-YVLHZVERSA-N 527.321 4.993 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC(C)C 409377890 LZIWSMWBWWSFAW-WOJGMQOQSA-N 564.445 4.871 10 40 KJCB O=C(COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccc(F)cc1 409401765 ZSWNXZOVTCGIPK-ZDLGFXPLSA-N 683.215 4.514 10 40 KJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1F)C(=O)c1ccco1 13025024 QMYZVECTVGWJRW-HHHXNRCGSA-N 505.590 4.698 10 40 KJCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C 16741223 BXBOVIIMOZROOB-UQQQWYQISA-N 529.666 4.804 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 100211090 RXOJRJFSRRDBNW-FYJGNVAPSA-N 600.434 4.719 10 40 KJCB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 100959018 RWNYMHAXMMNPEC-QJOMJCCJSA-N 556.600 4.536 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408755695 MBHBKGSMOUPOSN-JAIQZWGSSA-N 567.417 4.566 10 40 KJCB O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)Nc1ccc(F)cc1 409259047 ZCCSRUSZVXWAHH-FMCGGJTJSA-N 522.579 4.973 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 409271010 SPESIIFJVLHZAN-XKZIYDEJSA-N 650.482 4.935 10 40 KJCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 97957618 WBXKKCSBDWJUQM-LPYMAVHISA-N 545.598 4.626 10 40 KJCB O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 104533226 HMXVKWYPGAIFCH-IFDCKBTNSA-N 522.395 4.678 10 40 KJCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1 408536617 SGVCZMQWPHYBNU-ODLFYWEKSA-N 511.317 4.888 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409046910 SHMZHVJJBNDNAZ-VZUCSPMQSA-N 563.273 4.901 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 409069150 VGPFYTLFIYXFEP-UDWIEESQSA-N 603.422 4.729 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCc1ccc(C(=O)O)cc1 409186987 KNCGGYDMOUHNSE-WOJGMQOQSA-N 541.343 4.946 10 40 KJCB Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)o2)c(Br)c1 409193695 LJHAXRSTYAJYMJ-BOPFTXTBSA-N 511.353 4.547 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Cl 101130381 FNXVYEXICLKDEB-PCCBWWKXSA-N 536.765 4.798 10 40 KJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1OC 408824237 GLCAWAMWTRECEG-KGENOOAVSA-N 506.942 4.993 10 40 KJCB CCOC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408956024 VRLMMNVITATXEM-AFUMVMLFSA-N 528.605 4.763 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)NC2=S)c(OC)c1 409095667 DEMWUOLXXIHVRC-LPYMAVHISA-N 503.624 4.868 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 409166901 HJZMBPTXGCJAIH-HAVVHWLPSA-N 502.640 4.780 10 40 KJCB O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 409247803 BKSXSAQJRBKTAZ-ODLFYWEKSA-N 615.234 4.601 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)cc3)C2=O)cc1OCC 409376084 UDQAVKJPZNOHRC-CJLVFECKSA-N 561.566 4.697 10 40 KJCB COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409384250 BWVWJBSXMGGETP-VCHYOVAHSA-N 614.836 4.804 10 40 KJCB O=C(COc1ccccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O)Nc1ccccc1 618254485 CWPVZWILZWWPTP-RGNNIMSVSA-N 518.616 4.601 10 40 KJCB COc1ccc(N2CCCCC2)cc1C(=O)N1CCN(C(C)C)CCCN(S(C)(=O)=O)c2cc(Cl)ccc2C1 643559824 CGUNACWKUGQHNS-UHFFFAOYSA-N 577.191 4.861 10 40 KJCB Cc1cccc(-n2c(C)cc(CN3CCOc4ccccc4Oc4ncccc4C(=O)N(C)CC3)c2C)n1 643569762 RJKAQIQRWJTDDU-UHFFFAOYSA-N 511.626 4.951 10 40 KJCB O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 40221181 SBARVLZKWRIFMX-JIHKLPAASA-N 500.001 4.520 10 40 KJCB CN1/C(=C\C=c2/s/c(=C3\SC(=S)N(c4ccccc4)C3=O)n(-c3ccccc3)c2=O)Sc2ccc([N+](=O)[O-])cc21 100502495 XGVNAMDXPJGFHE-MUGZHTKMSA-N 602.744 4.844 10 40 KJCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102749515 LUDNBEDYZWKYCU-KWXIBIRDSA-N 508.534 4.865 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 103852227 PMDOVKLCFKDKPM-LICLKQGHSA-N 585.407 4.705 10 40 KJCB COc1ccc(N2CCN(C(=S)NC(=O)c3sc4cc(Cl)ccc4c3Cl)CC2)c([N+](=O)[O-])c1 108275858 MJLJDQCLOYFXBT-UHFFFAOYSA-N 525.439 4.962 10 40 KJCB CN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)N(C)Cc3ccccc3)C2=O)SC1=S 150405713 PFDFHAMSHRSWJZ-OCEACIFDSA-N 640.878 4.796 10 40 KJCB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)s1)c1ccc(Cl)cc1Cl 224642225 RWUWILIHGRYORX-UHFFFAOYSA-N 526.471 4.566 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408773093 GCTSSIRQFACBKP-UQQQWYQISA-N 526.589 4.894 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1ccccc1 408797759 CSTQWGGVQIJNJR-FYJGNVAPSA-N 626.403 4.722 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408804576 AWXBMBICFRATGF-RGVLZGJSSA-N 521.913 4.811 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1 408810586 UEGFJMJPBJFBMS-KGENOOAVSA-N 507.340 4.703 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(F)cc1 408952441 NUWNDLUKGFUAAN-DJKKODMXSA-N 630.366 4.803 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 409400532 SRXCMOJBMGJCOD-WQRHYEAKSA-N 540.801 4.890 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1F 3355314 QKFBYHSAGKOMQY-MHZLTWQESA-N 524.548 4.867 10 40 KJCB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 29747434 FSGWNLBOKPAYQY-BKUYFWCQSA-N 542.013 4.866 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100415513 JDTVXFKPRROASM-BHIFYINESA-N 506.341 4.997 10 40 KJCB CCOC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 111477080 VEVFSWCSRVJBSM-YIXXDRMTSA-N 561.466 4.816 10 40 KJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C 223653186 AHAJQPYRJQIQJO-DHIUTWEWSA-N 513.461 4.787 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OC(C)C 408796593 ANVZZWCYZOBGNY-OVCLIPMQSA-N 538.192 4.674 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 408898992 YXLVUCYBBCTOQY-HYARGMPZSA-N 704.495 4.609 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 408940678 OMSVLKOWXJLZIR-UDWIEESQSA-N 539.313 4.532 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC 408981267 ABZKFEUQHPXSPH-NVNXTCNLSA-N 507.768 4.875 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409049144 VATXYLCNRBZQDW-RGVLZGJSSA-N 645.837 4.946 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC 409332702 REBJFGSAXXEBJF-LZYBPNLTSA-N 575.833 4.911 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(F)cc5)cc4)c3C)C2=O)o1 409398993 GVIDMTAXHXEGLE-YSMPRRRNSA-N 586.576 4.723 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 9158870 GGSJVNWZDTXSFE-JPODZFEASA-N 503.971 4.990 10 40 KJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1Cl 9463659 FTRWUVCLPSMTRS-QFUYOXOXSA-N 509.035 4.688 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408551317 KBHPVZHIMCEWTG-GRSHGNNSSA-N 599.383 4.984 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(OC)c1OC 408933788 BIEYTYFIMAJQDA-UDWIEESQSA-N 522.941 4.611 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)C2=O)cc1OCC 409192691 FHGAVQCECFCFQL-WOJGMQOQSA-N 516.978 4.597 10 40 KJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409193867 GNCVONWVXODLEH-UUYOSTAYSA-N 538.607 4.577 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409252969 AEJHUBYVGRDLSX-BKUYFWCQSA-N 550.036 4.896 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409268215 RPMGXKKSXJOCJR-BOPFTXTBSA-N 556.427 4.851 10 40 KJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)c1 409374904 BHLJRXJUTCEJGI-XDHOZWIPSA-N 537.931 4.562 10 40 KJCB O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F 409400546 SXYCEPUZJOCEQE-BOPFTXTBSA-N 544.764 4.721 10 40 KJCB CCN(CC)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)ccc1C 103136250 YDAAGUROJPCWAY-UHFFFAOYSA-N 562.088 4.891 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 104881955 HZRDSDKXKVPSRY-UDWIEESQSA-N 552.356 4.877 10 40 KJCB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)nc1 225401158 BDSOIQMAFUSNPQ-UIOOFZCWSA-N 532.695 4.741 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2I)cc1 408692482 NJOVDCSRFUOKFV-XDHOZWIPSA-N 530.362 4.583 10 40 KJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1 409017433 ZXPIEBWOZCOWPT-XKZIYDEJSA-N 554.388 4.539 10 40 KJCB O=C1/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1 409128109 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O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408884266 WMENVODVBGKLRR-XDHOZWIPSA-N 511.303 4.539 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Cl 408987921 PPVRJGZACYHADZ-WCIBSUBMSA-N 514.557 4.545 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1cc(Br)ccc1OC 409056217 NDLJSLTVCULZNB-CLNXTWJPSA-N 660.590 4.543 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC 409125306 JRIUXHIYKNNADE-CJLVFECKSA-N 585.034 4.567 10 40 KJCB O=S(=O)(Nc1nccs1)c1ccc(NCc2cc(Br)cc(Br)c2O)cc1 2351601 VEDJTLWEPXNLFM-UHFFFAOYSA-N 519.240 4.787 10 40 KJCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 9185107 FLLYSXRHBBKGQW-XVCGDLFISA-N 501.612 4.596 10 40 KJCB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 9210169 WJWWTLYHMHXMSD-NXCFDTQHSA-N 516.554 4.501 10 40 KJCB COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940776 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COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(c5ccc(OC)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 97946379 XPOCHNXVAKHVSH-DIBXZPPDSA-N 613.765 4.748 10 40 KJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 100075111 QVUBAEMPZSRICF-UHFFFAOYSA-N 541.673 4.849 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 225529874 PWDGAAJDGRIBPR-UHFFFAOYSA-N 530.488 4.807 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 408530927 GAQGCYJWNBTCDB-ITJRUENTSA-N 520.969 4.618 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Br 408784121 SZAFMFPJXUCFPF-IZZDOVSWSA-N 503.658 4.796 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)c(Br)c1O 408854919 KSXVZFSIEXBZMQ-RIYZIHGNSA-N 538.192 4.599 10 40 KJCB COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 408858460 SFUJRRDBABMJBV-UXBLZVDNSA-N 516.200 4.604 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408891949 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Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)cc1 408743694 XELQYISZXYOQCX-BKUYFWCQSA-N 541.414 4.838 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Br)cc3)C2=O)cc1 408808046 DLXRSDFTDOGYDQ-LPYMAVHISA-N 537.366 4.712 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 408834463 VAZRFZQRLVZXDM-HRIDGTDGSA-N 553.684 4.717 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408893801 FVQRCDCRXTZIGY-UDWIEESQSA-N 508.889 4.511 10 40 KJCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2cc(Br)ccc21 409133358 SQQRZTXIRURXNB-JMIUGGIZSA-N 548.484 4.551 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 409221948 BUDUKTRCZAXMMW-UDWIEESQSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409252082 SEEPDKLPZHIBKD-UDWIEESQSA-N 596.409 4.979 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1 409252686 DIVCWOSYQNQMIZ-FYJGNVAPSA-N 563.994 4.740 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)C(=O)NC2=S)cc1 409377557 IKIJUFVXBKODBH-KGENOOAVSA-N 520.010 4.751 10 40 KJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 408801158 RTVFAJORVOIDEV-MHWRWJLKSA-N 507.768 4.956 10 40 KJCB O=C(O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I 408903504 YVHUOVHYJDLDRL-RIYZIHGNSA-N 623.231 4.765 10 40 KJCB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 409149897 URKADCSJCFRPNN-FSJBWODESA-N 588.414 4.874 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1C 409254994 YVJDAGLVOCHQAV-MTJSOVHGSA-N 593.390 4.658 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c(C)c1 409268160 QTSWOZZXCKRJTB-LPYMAVHISA-N 517.969 4.949 10 40 KJCB Cc1cc(Cl)ccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2366596 DCWNBXQNSJISRK-HMAPJEAMSA-N 503.942 4.937 10 40 KJCB COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=S)cc1 6143090 HAXMLHQOHNPLTH-LTGZKZEYSA-N 522.652 4.749 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100267170 ACAHNNUSALZJLW-NFFSQDDPSA-N 577.482 4.953 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408859755 ZKSJZFKABWMPIJ-OEAKJJBVSA-N 567.520 4.739 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409061305 CUGQQFHODXQTEV-ITYLOYPMSA-N 528.605 4.805 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409062599 XKFDMUUHWQJRLA-XCQFLATRSA-N 609.748 4.861 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(I)c1OCC(=O)O 409082413 SHPMZNNMZVSWCN-UNOMPAQXSA-N 554.340 4.598 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409251067 ODGAAJGHQPEPIB-NVMNQCDNSA-N 569.357 4.894 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409261366 AUIMOSUEFRORBD-HAHDFKILSA-N 514.669 4.957 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 409266310 QMAGBQNLZWMJMS-HYARGMPZSA-N 533.968 4.649 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1 409389117 ZJRHHCOXOGYWNV-OEAKJJBVSA-N 594.020 4.830 10 40 KJCB O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 103855616 FOWGNDNCGZTJOZ-DEDYPNTBSA-N 532.984 4.904 10 40 KJCB Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N/c3ccc(/N=N\c4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 104389023 JYMNCHGLWDWNND-RNDSACKQSA-N 607.604 4.699 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 408800287 LNQANHWWKHHRTK-VXLYETTFSA-N 604.784 4.904 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OCC(=O)OC 409146667 USQAZFZNQYIXAH-AWQFTUOYSA-N 656.564 4.691 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 409255891 LPLHKUWECOEHIU-LPYMAVHISA-N 503.942 4.641 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 103859194 SXJGWUQHUQCZPC-MHWRWJLKSA-N 516.691 4.937 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 223188298 KBZWOYWYJYFLFU-UHFFFAOYSA-N 504.027 4.837 10 40 KJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)C1 225553418 VBWNZBILCSUYRK-KCZVDYSFSA-N 504.096 4.854 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 408957572 TYKNRSIVOIIARP-IYVASWNSSA-N 628.589 4.813 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c(C)c1 409263061 KCGPFDKNHAJHJN-MOSHPQCFSA-N 564.461 4.915 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)C(=O)NC2=S)cc1 409377571 IZMNRNUEVKALOR-FYJGNVAPSA-N 594.487 4.869 10 40 KJCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 9210309 MFBAPZAQDRYYBQ-XVCGDLFISA-N 501.612 4.596 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 103852218 XEKXORPCMCEJER-LICLKQGHSA-N 586.395 4.915 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 103856592 CZWMBAOXCJJVHN-UHFFFAOYSA-N 544.254 4.942 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 113837861 WDBXKECGQMOEIS-UHFFFAOYSA-N 528.186 4.777 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 225483807 OXFQXKMBURJVMJ-WUFINQPMSA-N 622.729 4.963 10 40 KJCB O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21)Nc1ccccc1 408756726 UFHPCCYEANOILB-XKZIYDEJSA-N 559.445 4.874 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408796447 AGPJRFKIJIBEPW-UDWIEESQSA-N 521.913 4.892 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OC(C)C 408811748 WGGKEIDQODAZLG-VIZOYTHASA-N 507.768 4.873 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C)c1 408855643 FLEFFHMSIXGBBW-DJKKODMXSA-N 565.376 4.740 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC 409137068 TVCPHFRBINRCCH-HYARGMPZSA-N 615.060 4.576 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C 409234581 LQZOHOISRGOCKN-VXLYETTFSA-N 524.986 4.804 10 40 KJCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)c1 409269435 JNJDWFJQHZLLJZ-NDENLUEZSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409386855 NYLDFGVAIXMPCY-CPNJWEJPSA-N 582.382 4.671 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1 409386874 ODYUZPWQIAKSKQ-UNOMPAQXSA-N 554.386 4.994 10 40 KJCB COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 13649131 RQUIJMBIIODRRT-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 101040423 YUISZSDUGZGJDQ-DOELSWKASA-N 533.997 4.869 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 225217028 FSSLAKLBQDJVEU-IZLXSDGUSA-N 555.660 4.949 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O 225430097 MIIBWDXKIMVFNP-VSGBNLITSA-N 591.715 4.775 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1I 408777693 GDWBWBNHGUGTDS-OVCLIPMQSA-N 616.193 4.578 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408805166 JBLCZENZBLFQQD-KEBDBYFISA-N 658.361 4.752 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408819577 XVINDBVWYOLPQY-RGVLZGJSSA-N 602.356 4.693 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C 409260284 NYQGKQMJANRSTK-NDENLUEZSA-N 535.043 4.741 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1 409331222 MVCUFOFAAUPDRH-HYARGMPZSA-N 521.576 4.729 10 40 KJCB Cc1ccc(NC(=O)COc2c(Br)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 409399475 IXWWKILCVOXKPZ-NDENLUEZSA-N 540.801 4.890 10 40 KJCB COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3)c2C)cc1 2633361 DHMJOCZUZNZUAT-UHFFFAOYSA-N 510.641 4.729 10 40 KJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 100763651 LSEAUTGHOUFVJP-OSVNEOKWSA-N 554.141 4.983 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 408816629 UFLFMENKFADESC-RGVLZGJSSA-N 537.366 4.717 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c(C)c1 408848464 QQLORTIKAKCYTO-RGVLZGJSSA-N 507.999 4.894 10 40 KJCB COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 408853047 YGLKKZPQNLFTNH-BJMVGYQFSA-N 578.655 4.792 10 40 KJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 409009778 ICPPPIWJYQYATN-HIQXPHMNSA-N 585.476 4.954 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC(=O)OC 409038021 UKYYAQZDJOAVIT-VZUCSPMQSA-N 610.273 4.743 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409063989 AYJJNUNLWYTWGF-UDWIEESQSA-N 635.876 4.944 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O 409069456 CXZPLHIWZQPBKF-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409069653 MGSQOYZZKCOLMH-FYJGNVAPSA-N 599.459 4.899 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409077369 FFEJOCJHBJAIKA-VCHYOVAHSA-N 655.370 4.910 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(F)cc1 409372407 DLNYDJCOAZOBTF-VXLYETTFSA-N 543.345 4.821 10 40 KJCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 9215731 JAIHEUSNXSJECU-LYEFFDOLSA-N 505.918 4.761 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 100414868 NTSJIRBXMCCEEV-URVUXULASA-N 506.341 4.997 10 40 KJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 103760780 GFCLEDJRTBFGNO-UHFFFAOYSA-N 530.227 4.648 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C1=O 409069968 BTMPPODIDHMBMH-XDHOZWIPSA-N 575.824 4.845 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409257096 QEWGBHCVPSPSGR-UDWIEESQSA-N 533.968 4.649 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 409386537 MJCJBRBUGSUZJX-QQXSKIMKSA-N 543.645 4.892 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1OC 1103839 PNNQCZORTLMSHR-ITYLOYPMSA-N 584.723 4.718 10 40 KJCB O=C(NCc1ccccc1)[C@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 6446254 JWZHYBNHIXTBHO-DHUJRADRSA-N 611.706 4.907 10 40 KJCB CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O 26168046 HUADITLKOCMHSB-ARROIKNCSA-N 672.737 4.549 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1NS(C)(=O)=O 225429981 MIIBWDXKIMVFNP-NSOVKSMOSA-N 591.715 4.775 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1 408805526 GHHWOPXWZNNSKH-UDWIEESQSA-N 584.366 4.641 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1 409005320 UYHHEMSUFIZPFL-WPWMEQJKSA-N 599.640 4.595 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccccc1 409058803 LHQSCMGHHFVVMQ-GPYHDHOZSA-N 549.696 4.926 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409268863 YTDYRTKASVTBAN-JAIQZWGSSA-N 578.965 4.558 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC 409269356 HTBANWNEBRUDDC-KQWNVCNZSA-N 557.603 4.785 10 40 KJCB Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 38142897 JUNFRSFJSYNDNS-RGVLZGJSSA-N 552.337 4.760 10 40 KJCB O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 40221184 SBARVLZKWRIFMX-UWCCDQBKSA-N 500.001 4.520 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 97947292 UEPIUTLTLIGOIG-KQWNVCNZSA-N 552.722 4.682 10 40 KJCB COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971949 RGGIAKOEQOFXEN-INIZCTEOSA-N 530.485 4.943 10 40 KJCB biogenic Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)c1 101153129 JQOOUOQBZHOQPB-BDTNDASRSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 103852118 RIIJDYRZRYEUHE-LICLKQGHSA-N 585.407 4.705 10 40 KJCB CC[C@@H]([C@@H](C)O)n1cnn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 226849335 UQVXLZZMWCZLHS-XSGZROFYSA-N 700.791 4.573 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 408850694 COMYAVDTRLCENN-YBFXNURJSA-N 537.912 4.598 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 408935307 CPOOSGLPTKTCRP-UDWIEESQSA-N 540.301 4.742 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 409370957 AJBYVBVFGHBWGX-RQZCQDPDSA-N 501.322 4.836 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 97964678 YLTHDMBKXSMXEO-WTPQPOPRSA-N 535.626 4.777 10 40 KJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 408539669 XXGSXGDISUZCNA-UHFFFAOYSA-N 553.036 4.820 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408784101 RMFUGXZNUYNMCM-WOJGMQOQSA-N 548.377 4.762 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2Br)cc1 408885512 BFGGTRXCSIRLPL-DEDYPNTBSA-N 569.433 4.808 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 408898327 LBMJVMWJCJYANO-HAHDFKILSA-N 531.521 4.638 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408983672 NIMCCPDHEOYQAG-MTJSOVHGSA-N 534.952 4.991 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1 409227785 WTQTYLQHOXYPOV-XKZIYDEJSA-N 503.942 4.641 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409270182 CWSZQFZCGJDDJE-XKZIYDEJSA-N 697.482 4.777 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl 409270692 HDEMPUWGPDQGPS-ATVHPVEESA-N 570.852 4.951 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1OC 15240542 SWYZIHREWCNRCS-JVWWFMRHSA-N 508.600 4.827 10 40 KJCB O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 97971112 JSMOGMWXTBHTBQ-NKFKGCMQSA-N 549.697 4.694 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330010 ZMXVGSMNNJHOBS-YTMVLYRLSA-N 621.664 4.803 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(F)c(Cl)c1)C1(O[C@H]2c2cccc(Br)c2)C(=O)c2ccccc2C1=O 100413996 NUNQACXOXMZKRD-HBMCJLEFSA-N 554.755 4.937 10 40 KJCB COc1cc(Br)cc(C(=O)O)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1O 257226513 FKXHRYKNYVDMRQ-UHFFFAOYSA-N 553.409 4.993 10 40 KJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408526398 BVKPLMKIGGJSDL-VKAVYKQESA-N 513.429 4.893 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccco3)C2=O)cc1 408537787 XGKPEQLIFGKYDZ-YBEGLDIGSA-N 574.181 4.999 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC 408800054 JWARQJPJFXRSPO-OVCLIPMQSA-N 554.768 4.717 10 40 KJCB O=C(O)COc1c(Br)cc(I)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408967302 USLZBELFPFFRDF-VGOFMYFVSA-N 576.231 4.923 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 408994675 HBVIGKUMAOCQLA-KGENOOAVSA-N 524.314 4.537 10 40 KJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 409018792 ZGKJLUZSHBUSQX-LPYMAVHISA-N 560.434 4.847 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)C2=O)cc1 409070580 CIEJSQCIBVGEPM-VXLYETTFSA-N 569.353 4.724 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 409227265 XRLREKKEBWJFPN-RGVLZGJSSA-N 599.781 4.695 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c(C)c1 409259414 YZSJYHIHPQSTJT-HYARGMPZSA-N 548.393 4.750 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 33756585 UACVXNPWLXDXBH-RFNDTBEZSA-N 505.401 4.919 10 40 KJCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OC(C)C 96221192 CEFWJLBLFSMBFJ-HNNXBMFYSA-N 520.490 4.519 10 40 KJCB biogenic CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCN(C(=O)CN4C(=O)/C(=C/c5cccc(Br)c5)SC4=S)CC3)C2=O)cc1 150466948 OGMXUAGXUNEOCW-MPKYGIEOSA-N 731.741 4.621 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)c(OCC)c1 408734430 GKHGQPAQOLHTIP-JLKMOJGBSA-N 630.723 4.911 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OC(C)C 408812927 XPZGXOLXGSMNBS-LICLKQGHSA-N 548.377 4.760 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1 409269152 GBBVFRJKZCUOJJ-ZDLGFXPLSA-N 555.330 4.586 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O 225481170 SSVOMPFRMWEZIF-SVBPBHIXSA-N 563.705 4.752 10 40 KJCB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O 408549763 YNQCVSSFBVHMQM-YDZHTSKRSA-N 538.398 4.501 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C2=O)c(OC)cc1Cl 408779466 FELBYODUCWNHTL-YBFXNURJSA-N 536.968 4.920 10 40 KJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409248690 HZUWVQYAGBRDCU-HYARGMPZSA-N 521.415 4.950 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1 9891795 HVYTUMUGHUISEX-HMAPJEAMSA-N 508.372 4.922 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 26503358 FOERGFMLNQWMKD-BWYCHMBGSA-N 518.708 4.929 10 40 KJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223188866 QYRPTELKTZAJCM-XCZPVHLTSA-N 503.716 4.801 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1 408541613 GXNCIYAMPOZSOO-MFKUBSTISA-N 507.546 4.759 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408552454 IQIFXIPOABFUGZ-UNOMPAQXSA-N 510.333 4.677 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408785141 YALCXLVIYAFLSF-QQXSKIMKSA-N 530.552 4.725 10 40 KJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 408850361 MCWGAIVJDWQKPL-XBXARRHUSA-N 506.592 4.946 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 408874766 AKNYKPSJQCDWRD-MOSHPQCFSA-N 523.408 4.868 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408883311 SNWYOJVUGSQXFL-DEDYPNTBSA-N 599.459 4.899 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409018809 ZIQUQGPDQCEKFN-HYARGMPZSA-N 526.998 4.597 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Cl)cc1 409041970 LPAWGJDOTZRQRE-VCHYOVAHSA-N 549.363 4.875 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409267902 PUFRFGXIKFVXNE-NHDPSOOVSA-N 684.443 4.899 10 40 KJCB COc1ccccc1N1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)SC1=S 409333711 VIQKYJVUIXXBHL-MHWRWJLKSA-N 513.378 4.723 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1Cl 101570950 KSYXHEUITXURLJ-MOSHPQCFSA-N 519.941 4.870 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 103853320 JPOFSIHGNNGHDF-GZTJUZNOSA-N 555.381 4.727 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408803170 LZAYRXJUSCNWCM-RGVLZGJSSA-N 537.912 4.598 10 40 KJCB COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 409019634 VIEBAORJGPQTDG-FJNIOPPGSA-N 585.726 4.920 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OS(=O)(=O)c1ccccc1 409064791 GGWHLHOGXYFUJP-VCHYOVAHSA-N 651.245 4.554 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccc(F)cc1 409364909 RGWFZPBAVLEEIY-WQRHYEAKSA-N 528.323 4.816 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 100194356 YOXKDLULWONOOF-YBEGLDIGSA-N 516.691 4.937 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 102656415 VHIYSHQNGQMGLK-PWRODBHTSA-N 509.411 4.540 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223467533 TXEGXAXASIKPDB-IZZNHLLZSA-N 514.611 4.974 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C2=O)cc1 408544956 WHFBNKZZVDRBFP-PCLIKHOPSA-N 523.545 4.541 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I 408763923 GKQQLWPIQBBPIA-VGOFMYFVSA-N 692.098 4.733 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 408866758 ITJXKUBILJZINO-UNOMPAQXSA-N 511.372 4.999 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 408881223 KFFDTEHVDIBVLK-UDWIEESQSA-N 553.340 4.620 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408895764 FODJOFVMDGLFGC-MTJSOVHGSA-N 566.364 4.920 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1OCC 408911910 OXJBEVFRFPJQNG-PQRKSKNISA-N 601.725 4.622 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccs1 409060858 YRSQWFGAEJWOJV-PDUUCECCSA-N 555.725 4.906 10 40 KJCB CCOc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 8738476 UZQMSHMOSJECOK-HZHRSRAPSA-N 504.539 4.619 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCSc1ccccc1 9456711 UNUZNODDHDWFGO-ICALIKLASA-N 515.620 4.929 10 40 KJCB CN1C(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S 59140050 SIBZCJXEQDXFQG-UHFFFAOYSA-N 514.228 4.934 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 100208235 PYSNVIODYRDZKJ-XYGWBWBKSA-N 500.551 4.551 10 40 KJCB COc1ccc(CN2C(=O)/C(=C/c3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 101023092 SNVQVNDCOQRBBO-HMAPJEAMSA-N 538.695 4.640 10 40 KJCB Cc1ccc(-n2nc(C)c(C3(c4c(C)[nH]n(-c5ccc(C)cc5)c4=O)C(=O)c4ccccc4C3=O)c2O)cc1 102835835 RZEYGJCDBOYXQR-UHFFFAOYSA-N 518.573 4.656 10 40 KJCB CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)N(CC)Cc3ccccc3)C2=O)SC1=S 150469525 RCSQETLRVMJASF-OCEACIFDSA-N 640.878 4.796 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)cc3)C2=O)cc1 408887714 SQNLENPYIZKUIE-PXLXIMEGSA-N 549.377 4.871 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OC(C)C 408899760 QFTGUIFCNNBTLF-NVNXTCNLSA-N 599.219 4.824 10 40 KJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409188629 IIBRIBWXAIKDIB-LPYMAVHISA-N 515.978 4.873 10 40 KJCB Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1 409259746 DRNKIFNZYNCJLY-LPYMAVHISA-N 503.942 4.641 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409342767 GHWMSQJOJBKAPH-JMIUGGIZSA-N 509.521 4.925 10 40 KJCB CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3OC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778056 SLNCDBXTRCBVHT-OOAXWGSJSA-N 587.698 4.657 10 40 KJCB Cc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1S(=O)(=O)N1CCCCC1 12601201 QHUPYLFITSYFLH-UHFFFAOYSA-N 527.618 4.512 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 100194567 PGGKFEAYJLUJPF-GRSHGNNSSA-N 552.337 4.611 10 40 KJCB COc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 101348060 CWVCVCNQMZVIPM-FEUAQRDNSA-N 577.482 4.864 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 103578505 GGWALAQWCFONRX-AQRUSWPISA-N 527.025 4.908 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccccc1Br)OC21C(=O)c2ccccc2C1=O 217403289 IVKRVKLMMFBHEO-NJYVYQBISA-N 536.765 4.798 10 40 KJCB CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 408760713 DRENYOBFIPDVJI-XNTDXEJSSA-N 508.166 4.585 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(=O)NC2=S)cc1Cl 409236253 FRYBDNBBYDRTPP-KEBDBYFISA-N 507.999 4.894 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409252810 DYNWNNVQJJBQPV-YVLHZVERSA-N 600.809 4.501 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 409253220 WMALMTHZRLFXSK-WSDLNYQXSA-N 655.445 4.609 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1OC 409263837 CIRLDUWPZAPPNL-HKWRFOASSA-N 563.994 4.821 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8407375 RHLMXAPEHTXANM-HDFSHUSISA-N 601.700 4.591 10 40 KJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 97947395 MQAPUNPSAKDJJW-XKZIYDEJSA-N 529.599 4.925 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1 100415317 BDLFQAUUHXLWPF-FSSWDIPSSA-N 505.448 4.709 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 102464341 ZYGJPVBZJPCCQT-LNQWCPNTSA-N 531.638 4.604 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1cccc(F)c1 112245402 KQSQFOOOXPNPQE-YBFXNURJSA-N 586.357 4.993 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408811870 ONUIJLFBQUJNOQ-DJKKODMXSA-N 525.876 4.641 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 408895222 DAGIADKQKZOBRI-YBFXNURJSA-N 572.774 4.926 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409129695 WAKPWSUMTPXLAX-KUOTXRDYSA-N 505.665 4.905 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1C 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97971939 OECTXSIYELPMRZ-GOSISDBHSA-N 544.512 4.845 10 40 KJCB biogenic COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC 100316912 QNSRPBZJKWKZLC-VCHYOVAHSA-N 569.442 4.874 10 40 KJCB CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 101249473 GLYIVPQFHSHVMY-UODIDJSMSA-N 539.584 4.709 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225033166 UMABLLMEKYHHBE-QFIPXVFZSA-N 513.704 4.670 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 408536370 RDQXYVJYQQYDPO-DEDYPNTBSA-N 535.350 4.652 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(I)cc1 408785409 YUPWHPDSVIJSEO-FYJGNVAPSA-N 568.367 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408859439 XGSQBQLKUWYQDF-CXUHLZMHSA-N 585.407 4.736 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408888489 VZUKWPIDSNBNDJ-UDWIEESQSA-N 575.824 4.845 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)c2C)c1 408967458 RTBFISBJPOZPPP-HAHDFKILSA-N 503.580 4.946 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC)C2=O)cc1 409055403 INJNIMGCSCMFMS-MHWRWJLKSA-N 538.192 4.675 10 40 KJCB COc1ccc(-c2nnc(SCC3=CC(C)(C)N4C(=O)/C(=C5\SC(=S)NC5=O)c5cc(OC)cc3c54)o2)cc1 1554503201 OFYWHHHJLLWFCN-VZCXRCSSSA-N 578.697 4.927 10 40 KJCB CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 6599931 CMQSKNSNHUSXBC-FUPPJEDESA-N 564.377 4.865 10 40 KJCB Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 9427301 KIBFUFAIRDNYSA-SAMJQPSXSA-N 504.681 4.887 10 40 KJCB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C 9969794 ZDBYVNPIWGPEGT-UHFFFAOYSA-N 503.020 4.543 10 40 KJCB COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O 97967518 OVRGDTUYLYNWDG-CIAFOILYSA-N 562.003 4.825 10 40 KJCB COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971864 KKTYYSYVPYMWLC-MRXNPFEDSA-N 574.494 4.641 10 40 KJCB biogenic COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 225216151 LYQKOVNNICLPAB-IZLXSDGUSA-N 527.650 4.957 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 225396211 SJTLKMHSGIKUFN-CLJLJLNGSA-N 533.679 4.743 10 40 KJCB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2c(cc1Br)n(C)c(=O)n2C 408527074 DVMBEJNMLLPGQQ-XFXZXTDPSA-N 509.191 4.665 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccccc2)C1=O 408536129 PUVPXVSQNZKYCK-RGEXLXHISA-N 505.324 4.643 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408726456 NRQJRMUOWAAQAX-PIXWUVMMSA-N 636.568 4.986 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 408937722 JPJYDSJVMJNGLJ-RGVLZGJSSA-N 565.376 4.710 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2Br)cc1 408943979 SYGWMXYTKZVGNQ-UDWIEESQSA-N 535.350 4.701 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OS(=O)(=O)c1ccccc1 409065139 GOCXMYUIAMAMJM-DEDYPNTBSA-N 574.396 4.874 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409252035 BHBCLDDXMKBHOY-NVNXTCNLSA-N 513.822 4.617 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 409266800 LDBVFEOKCUYWSA-UNOMPAQXSA-N 526.401 4.842 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)OC 409343117 FZZBOXJHLJMPCW-RQZCQDPDSA-N 553.412 4.714 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(SC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 103449348 ATVSVLNXBRCXCT-FCYPAOMHSA-N 535.735 4.755 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 225398761 WSRIBMZSRHGFDU-KAYWLYCHSA-N 561.689 4.766 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O 225483333 PIQGCEHKDKXAIQ-VSGBNLITSA-N 591.715 4.775 10 40 KJCB COc1ccc(NC(=O)CC(=O)N2N=C(C)[C@H](N=Nc3ccc(S(=O)(=O)c4ccc(N=N[C@H]5C(=O)N(C(=O)CC(=O)Nc6ccc(OC)cc6)N=C5C)cc4)cc3)C2=O)cc1 263593508 BIIOLFWQCLKOSV-MAZIBIHTSA-N 848.855 4.988 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408800001 MOEFLMPEYFXUSR-VXLYETTFSA-N 513.333 4.953 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408800844 RJSZHMUVMGLIHC-RGVLZGJSSA-N 555.356 4.938 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 408898741 MIVWUXZBFXQZTE-FYJGNVAPSA-N 533.968 4.731 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409219258 KNTMPKRMVALHPU-RGVLZGJSSA-N 614.836 4.804 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409223124 HBAYIUXYABLCCA-UDWIEESQSA-N 584.810 4.795 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)C2=O)cc1OCC 409226152 SJRXZXUYDYFJKP-UQQQWYQISA-N 557.603 4.866 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccccc1Cl 409254587 DWHAWHJFHCOQFD-YVLHZVERSA-N 555.330 4.586 10 40 KJCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1-c1ccc(OC(F)F)cc1 2648219 HBHRDJIKELPDJQ-LJQANCHMSA-N 521.520 4.729 10 40 KJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(I)cc1 8765631 BHCNXXSTWJOGMD-WJDWOHSUSA-N 512.369 4.660 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 103849663 NNGUPDFZCBLWKL-XDHOZWIPSA-N 542.304 4.676 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(F)c1 408692288 JCNJQJLIVHODHV-YBFXNURJSA-N 531.378 4.970 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Br)C2=O)cc1 408865076 AMFAPCPLJLCFNQ-PXLXIMEGSA-N 521.367 4.724 10 40 KJCB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(C)=C3C(=O)OC)o2)cc1 408877151 QGQAXNFNTTZLDK-BUVRLJJBSA-N 625.556 4.607 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(I)cc1 408949433 IBKAMOBHUSLIPR-QGMBQPNBSA-N 632.794 4.927 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OCC 409193183 DSJOKZNPVMSNAJ-JJIBRWJFSA-N 608.669 4.703 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409260067 KFIVRPUEOCFBSQ-STZFKDTASA-N 548.393 4.750 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)cc3)C2=O)cc1OCC 409379288 WOQGDEZIUINGEL-KOEQRZSOSA-N 573.602 4.567 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 13770863 SLZUKFSOVLDNOP-DDSBZIKFSA-N 511.563 4.675 10 40 KJCB CCOC(=O)C(C(=O)OCC)c1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1NS(=O)(=O)c1cccs1 102630416 NRBKUZFUEQCISM-UHFFFAOYSA-N 608.741 4.774 10 40 KJCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 103845304 FUTRRICZFYYQBM-LSHDLFTRSA-N 531.565 4.746 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 103863511 WIDFFMBDHMEICU-QPWQWLJXSA-N 618.553 4.773 10 40 KJCB COc1ccc(N2CCN(C(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 252552523 UVLDARVNLRWGBB-BVRKHOPBSA-N 690.863 4.754 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)cc(Br)c2OCC(=O)Nc2cccc(C)c2)S1 408528828 FLZDWULFKDDWPV-IUXPMGMMSA-N 567.259 4.644 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408534084 LEBLZTWDUMFOGS-GZAHHAHMSA-N 592.358 4.651 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 408724606 AEJJSUQIJJXSSB-MKWGYRPRSA-N 532.065 4.859 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408783688 QAMFCCAYTDLGIZ-UCQKPKSFSA-N 551.393 4.615 10 40 KJCB CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409040322 GICHHFGPULFHBE-RIYZIHGNSA-N 528.584 4.930 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409076475 ASNXCOQYCNLXTI-RQZCQDPDSA-N 597.880 4.922 10 40 KJCB COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409375221 HIVKFKYVAPBEPB-ATVHPVEESA-N 540.359 4.686 10 40 KJCB Cc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 6245119 BDBPLBIBDKHHEL-MGBGTMOVSA-N 574.685 4.667 10 40 KJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccccc1 8453122 DSNFOOUPLWMXDG-RCCKNPSSSA-N 523.383 4.767 10 40 KJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 13546337 DXPKMIWXNOJVQM-WQRHYEAKSA-N 512.341 4.757 10 40 KJCB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)ccc1Br 25389648 DGJUQRGACATEOU-UHFFFAOYSA-N 512.743 4.982 10 40 KJCB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 38143370 OUXGHOJJHJKXHJ-HEHNFIMWSA-N 531.725 4.867 10 40 KJCB CNS(=O)(=O)c1cc(OC)c(/N=N/c2c(O)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc3ccccc23)cc1C 100045233 YKGGTUUWVUHZIL-ULIFNZDWSA-N 560.592 4.608 10 40 KJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 100414847 JQOOUOQBZHOQPB-FDFHNCONSA-N 506.341 4.997 10 40 KJCB COc1ccc(OC)c([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c1 100969016 GOOSFYMDSXJJJB-VJGNERBWSA-N 538.600 4.968 10 40 KJCB C/C(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103921142 CILUBUXQGRVVMT-PLRJNAJWSA-N 569.603 4.631 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 150445174 SSGPCDSELKPCCS-QRVIBDJDSA-N 641.152 4.675 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 408887894 URAHPAOORVRJBH-XDHOZWIPSA-N 620.275 4.954 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OCc4ccc(C(=O)O)cc4)cc3Br)C2=O)cc1 408981540 BPXDXVDWQLELJU-MTJSOVHGSA-N 579.403 4.964 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC(=O)O 409046842 KXJNTYOLGBVGLN-ONNFQVAWSA-N 504.795 4.704 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1OC 409252517 SWVWEHUAMQOWJV-HAHDFKILSA-N 587.629 4.793 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409267461 VSPHYMLFMTWCSB-WQRHYEAKSA-N 555.330 4.586 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OCC 409365065 SKJHBNHDMSOBCX-LFVJCYFKSA-N 561.566 4.697 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1Cl 409374243 ZLMSRGSZUIRJTL-MFOYZWKCSA-N 545.773 4.945 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2257740 ULUNLWDWYVGFOI-BKUYFWCQSA-N 508.669 4.523 10 40 KJCB CC(C)CNC(=O)CSC1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(OC(F)F)cc1 33498903 HYVQRVNZWYKXDN-FYJGNVAPSA-N 502.587 4.603 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 59248798 BTOZMFVXWVMGNF-CIAFOILYSA-N 507.999 4.839 10 40 KJCB COc1ccc(N2CCN(C(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](C[C@H](O)[C@@]43C)[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@H]5O)CC2)cc1 79188252 VFIVHNCRWMNYMI-UMDUTULISA-N 582.826 4.722 10 40 KJCB biogenic CCC1=NN2C(=N)/C(=C\c3cc(I)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 97958555 QPKVLPIYBBQRCU-UXMLFEQVSA-N 576.416 4.787 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCCOc3ccc(C)cc3)C2=O)cc1 100344987 GGBSTLKBWZLSTJ-XQNSMLJCSA-N 551.393 4.890 10 40 KJCB Cc1ccc(-n2nc(C)c(N/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1C 408758159 WGCMCHHATOZORQ-NDENLUEZSA-N 522.403 4.756 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(Br)c1OC 408808513 MHUQJBLAYXJVJG-UDWIEESQSA-N 537.366 4.712 10 40 KJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1 408808710 NAOZDVKWHZVKGQ-UDWIEESQSA-N 507.340 4.709 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408884038 WNDRSPTZMVILGR-YVLHZVERSA-N 525.876 4.641 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408885004 ZPRYRKMPUOJROV-FYJGNVAPSA-N 555.008 4.790 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 408898503 WKMMAKGUGACWFV-LDADJPATSA-N 531.373 4.736 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(Br)c2)S1 409092214 TXKLHMDUGAXVGD-LZYBPNLTSA-N 554.216 4.595 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 409099815 LUHBEJTXIRRENL-DEDRDRDXSA-N 597.785 4.586 10 40 KJCB CCN1C(=O)/C(=C/c2cn(CC(=O)NCc3ccco3)c3ccc(Br)cc23)SC1=S 409126617 LQNFJQJJYFQWNY-LSCVHKIXSA-N 504.431 4.534 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl 409261791 BHTNVZBRIBPMQC-AQTBWJFISA-N 554.784 4.786 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccccc1Cl 409267327 SYBLUAAIGYUKAN-YVLHZVERSA-N 599.781 4.695 10 40 KJCB O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 409400888 UWIQEFWLVPIMEJ-UNOMPAQXSA-N 526.774 4.581 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3345843 INERWAVKJSYMAS-DEOSSOPVSA-N 524.520 4.742 10 40 KJCB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1 8819464 OBXZJBGRGBIBCD-QNGOZBTKSA-N 514.625 4.501 10 40 KJCB COc1cccc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 8918043 LZWPPLXYTQMXFG-QKDODKLFSA-N 507.542 4.643 10 40 KJCB biogenic COc1ccc(N2CCN([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940294 TXBNOMCUNFTWPE-NDEPHWFRSA-N 527.673 4.557 10 40 KJCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc(Cl)c1OC(=O)c1ccco1 20154685 RNORARLWXGMZGP-PJMSFRGASA-N 504.977 4.879 10 40 KJCB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 97982666 RDCUOKHJQSJBMH-VOIUYBSRSA-N 585.542 4.786 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 100320369 AREHOAVUPQNNPM-RGVLZGJSSA-N 586.357 4.993 10 40 KJCB O=c1/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 101596518 YSVGJTOFNXOOTP-HDFSHUSISA-N 552.631 4.966 10 40 KJCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)C(=O)NC1=S 408956222 ZEMXRRSYIVZGEN-UDWIEESQSA-N 507.999 4.839 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409222785 CVBPBMGKHDBVDS-RGVLZGJSSA-N 661.836 4.646 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1OC 409375388 KCAMBGGNHOKWAG-DEDYPNTBSA-N 563.994 4.740 10 40 KJCB CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 409400238 QTLTVILHNAMXQV-ZENNRRHLSA-N 588.183 4.535 10 40 KJCB CN1C(=O)C(=Cc2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=S 59087217 HYWSYKAKCGOHMC-UHFFFAOYSA-N 502.821 4.704 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C 101107332 GKVGGQGTXNBZNT-YTFSRNRJSA-N 577.374 4.603 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 101149682 JXGUWLGPKZYEBI-LNQWCPNTSA-N 531.638 4.604 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1OC 225296778 DYPRLJXPOAAWRD-FQLXRVMXSA-N 585.686 4.958 10 40 KJCB CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408539370 WBIPOTQWJBMOMO-PDGQHHTCSA-N 501.923 4.882 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408759077 XKSNGNNSEBGDGM-MHWRWJLKSA-N 531.771 4.892 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c2=O)=N1 409042778 CPRWSYZXCFNSGG-LMSRTUJASA-N 623.516 4.810 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 409060402 ZORJPIHRQIMKRC-WOJGMQOQSA-N 540.359 4.686 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 409068569 RYIOQMLSEDYXQA-KGENOOAVSA-N 561.399 4.826 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O 409239616 HRGVWGGAFSBKCE-DEDYPNTBSA-N 508.372 4.922 10 40 KJCB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 409265159 QVFSAPUPPOMVAV-WQRHYEAKSA-N 537.457 4.705 10 40 KJCB Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O 409373920 WHYNGTQZJDESLI-GZTJUZNOSA-N 502.409 4.637 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1 409389360 YHGMGGUDHIKCJE-XDHOZWIPSA-N 567.957 4.570 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1cccc(I)c1)OC21C(=O)c2ccccc2C1=O 150416442 OIOVCZZXHAXGNC-NJYVYQBISA-N 628.216 4.749 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O 225441765 ABRXUZWLNBOGNO-FTJBHMTQSA-N 533.679 4.738 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 225494098 DHXVWNKVNQIPSZ-KAYWLYCHSA-N 563.705 4.747 10 40 KJCB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408845081 XYGWCONBBJNARW-MNJKBJKMSA-N 564.029 4.840 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408874272 ATZIACPAKHQTSI-RGVLZGJSSA-N 586.357 4.705 10 40 KJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 409245378 RVHSHRPLFQWLQN-CPNJWEJPSA-N 514.481 4.973 10 40 KJCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409245621 WQIQPTSSTOZOOB-WOJGMQOQSA-N 500.454 4.803 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1C 409253125 ASRHXULVMWIXPY-HMAPJEAMSA-N 517.969 4.949 10 40 KJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S 409368853 PQAOUQUURRGLQP-ZDLGFXPLSA-N 554.437 4.676 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8443333 XDTSTILBSCRLIA-GVMLUORFSA-N 593.061 4.686 10 40 KJCB CC(C)Cc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074387 XBJUZZCSYFBROU-WKZPCTCASA-N 503.535 4.838 10 40 KJCB COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1OC 101573909 IXWNDJXEIVDJMJ-HYARGMPZSA-N 526.636 4.643 10 40 KJCB C/C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103921267 NCCQPVGXEQGQPX-UQQQWYQISA-N 590.021 4.976 10 40 KJCB COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H]([N+]([O-])(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1 150403123 YYEDQXYOGYFXSQ-NXYFSZCUSA-N 723.775 4.785 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 408850833 RXXYECPHHIHYQQ-AUEPDCJTSA-N 670.500 4.986 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408874429 BIOHNDYJUFFVJZ-SJXDCSIJSA-N 629.735 4.701 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 408899437 PFWPYMFGJINGGG-CIAFOILYSA-N 596.409 4.979 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc2)cc1 408900451 SQIJBXUTCOTHSR-STZFKDTASA-N 555.406 4.500 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 408983913 OGIMFCTZXXMJHN-MTJSOVHGSA-N 579.403 4.964 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409046515 LAUHTCPTZRECEI-LPYMAVHISA-N 608.445 4.849 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c2=O)=N1 409048493 WYIAYMAZPMKBMF-YNMQQHPQSA-N 525.674 4.823 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccs1 409057081 ILGIAEKURBCJLS-PDUUCECCSA-N 555.725 4.906 10 40 KJCB CCCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 409345447 IQUKIYZBLHGMDL-WQRHYEAKSA-N 501.377 4.920 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2)cc1C 409376027 SKHRICFEPURNFS-BUVRLJJBSA-N 513.619 4.769 10 40 KJCB COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2OC)cc1 97959075 IBOZSAVLAZWHDY-GGLRMMABSA-N 528.590 4.829 10 40 KJCB CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4O)[C@H]3C2=O)cc1 101029060 JOIKJQPYKCXRGS-ZNZIZOMTSA-N 517.538 4.921 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 103813030 GRPYVMNCKWKHAV-AFUMVMLFSA-N 556.619 4.566 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 225442340 PCDQLRKSRVIZHC-NSOVKSMOSA-N 605.742 4.833 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408767850 QBACQCOUMUHOQP-RGVLZGJSSA-N 566.364 4.920 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 408858179 QJLFELPPYMYKMU-DDBFQISPSA-N 582.726 4.824 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 408889139 AEZWIUXNSNHHMA-RGVLZGJSSA-N 602.356 4.780 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 409063762 MWTKTUKMMJQUBU-HDFSHUSISA-N 555.700 4.913 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(I)cc3)C(=O)NC2=S)c(C)c1 409125526 MXBOESZVVCWEMI-CPNJWEJPSA-N 527.387 4.530 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409256080 JQEDIHPTBKFDOK-NDENLUEZSA-N 580.460 4.615 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OC 409347499 QBHBLCCUHOGDCO-CAOOACKPSA-N 541.388 4.833 10 40 KJCB Cc1c(N2C(=O)/C(=C/C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 1093039 PZODJLMDUBFSMQ-DFQGPDHMSA-N 513.000 4.921 10 40 KJCB CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(OC)c(OC)cc3Br)C2=O)cc1 8439065 JCHGPLQFHABNOB-DHDCSXOGSA-N 527.293 4.992 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 32109561 XCIBUOQWDYORMS-DKWOXAKMSA-N 518.517 4.951 10 40 KJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 103917282 BQMVCMLHJWMEPY-QNGOZBTKSA-N 522.612 4.811 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2ccc(C)cc2)c1 408823502 FOIBWJMBLJWAQE-RGVLZGJSSA-N 536.968 4.920 10 40 KJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 408858457 SFRUUMJFQJCWQH-DHZHZOJOSA-N 515.216 4.780 10 40 KJCB CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O 408900409 SKLIWGUMNVKDMU-GDNBJRDFSA-N 508.166 4.585 10 40 KJCB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408902888 MZMHUKHMRVPLNK-GFQQVXNGSA-N 507.768 4.955 10 40 KJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(C)cc1 409025744 ZZLAIKUPUOLSME-ODLFYWEKSA-N 536.391 4.684 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409048833 UGGKCWWCTYJRHZ-XSFVSMFZSA-N 533.968 4.731 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409064371 PCPOMOPHHPONEE-PRLWALMFSA-N 586.670 4.513 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C1=O 409073227 GDWHVTLKLKHVLC-QGOAFFKASA-N 531.373 4.736 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409206120 VGKZDEXGSLQKON-LPYMAVHISA-N 521.576 4.729 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccccc1F 409382259 QLTSGQLBTOJZPX-LICLKQGHSA-N 528.323 4.816 10 40 KJCB CCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 1296559 LFRUZJVFQYKUEV-XLNRJJMWSA-N 504.681 4.683 10 40 KJCB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)sc(C(C)=O)c1C 12494256 UAVWBZPPRZWTCK-UHFFFAOYSA-N 512.569 4.872 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 101055362 AZGNUTQMAIQUQA-IQDKPADRSA-N 528.659 4.550 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3cccc(Br)c3)C(=O)c3ccccc3C2=O)cc1C 101481000 IPMVSCMWTBDRKB-ZRBLBEILSA-N 530.374 4.761 10 40 KJCB COc1cccc(-n2c(SCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nc3ccccc3c2=O)c1 103088826 HCVNSTIOBNGLFZ-UHFFFAOYSA-N 547.592 4.901 10 40 KJCB CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]32)cc1 222446699 CMQSKNSNHUSXBC-XPNTWCBSSA-N 564.377 4.865 10 40 KJCB CCOc1ccccc1N(CC(=O)NCc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(C)cc1 223688391 BXMWJROKMSCSAA-UHFFFAOYSA-N 509.672 4.752 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408531577 HBRHOIOEIPCHOG-HSGJKIJMSA-N 608.388 4.975 10 40 KJCB Cc1ccc(-n2nc(C)c(N/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1C 408534820 RIWQSUIEHYXHFS-UDWIEESQSA-N 522.403 4.756 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)C2=O)ccc1Br 408764171 QHPSRHPZUPIXPQ-XDHOZWIPSA-N 522.355 4.530 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC(C)C 408817674 WDHXPJLJYTYNHR-VIZOYTHASA-N 507.768 4.873 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 408850224 IQCFWJJSOMDEKA-WGOQTCKBSA-N 541.604 4.727 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 408853544 VEEXJHCBFXQTBY-HZHRSRAPSA-N 504.514 4.869 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408980999 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4.870 10 40 KJCB O=C1[C@H]2[C@H](c3ccccc3Br)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100596697 IVKRVKLMMFBHEO-HKBOAZHASA-N 536.765 4.798 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 100761952 OARLUMXMHPCEIX-SNCWWCFESA-N 560.745 4.842 10 40 KJCB CCCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4O)[C@H]3C2=O)cc1 102724042 JOIKJQPYKCXRGS-UODIDJSMSA-N 517.538 4.921 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 112245674 JJBDGUFJJRXDDK-DEDYPNTBSA-N 536.338 4.911 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 164379921 FWHRFCSSSPTBFM-VXLYETTFSA-N 617.327 4.593 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408528427 BERAEFROXQSMPR-XDHOZWIPSA-N 555.768 4.997 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 408788681 FYMOZKFOQDOVFR-OVCLIPMQSA-N 522.193 4.894 10 40 KJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 408966413 MQMVPKCELKMJSN-RGVLZGJSSA-N 510.978 4.676 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C 409061600 YDTODPSXSXRDAG-IWIPYMOSSA-N 502.567 4.997 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409218824 LFYLSUCCLIKFCN-LPYMAVHISA-N 563.994 4.740 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409222596 CDYPRTXAJNKSNJ-KGENOOAVSA-N 505.958 4.899 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)SC1=S 409261675 CRQDPHNSRBHZDB-MTJSOVHGSA-N 521.060 4.912 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1 409342166 CLVDJBJJOAYIGV-HZHRSRAPSA-N 506.605 4.829 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 409398487 BHAQDTLESQNFHT-UNOMPAQXSA-N 530.749 4.985 10 40 KJCB CCCN1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2205800 LDEHRXMFPDKDDL-VBKFSLOCSA-N 502.415 4.861 10 40 KJCB O=C1/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 26840811 SBARVLZKWRIFMX-IQFISFIMSA-N 500.001 4.520 10 40 KJCB CC(C)N1C(=O)c2ccc(-c3ccc(/C=C4\C(=O)N(c5cccc(C(=O)O)c5)N=C4C(F)(F)F)o3)cc2C1=O 100165425 HJMWIBWSBUXWSR-NDENLUEZSA-N 537.450 4.998 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c([N+](=O)[O-])c1 260922627 QPYAQVSEGGCOJE-BTZRARBUSA-N 507.616 4.557 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408755378 NDMGKIDKVOECTB-PLNPHXOGSA-N 627.763 4.808 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408998261 UFJCRZWUYSWVOW-ZPVURNRZSA-N 618.553 4.773 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)O)cc1 409186823 IHXWBWYBEPAHGG-DEDYPNTBSA-N 565.376 4.710 10 40 KJCB COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(O)c3O)[C@@H](C(=O)c3ccc(O)cc3)[C@H]2C(=O)c2ccc(O)cc2)c(O)c1O 2332242440 RLHSHDIAEPWEMW-WMMUPMAMSA-N 588.565 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CENVYMFRSREQIL-OVCLIPMQSA-N 590.361 4.939 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 409326839 FEUYPFOZSFXDGG-YVLHZVERSA-N 585.885 4.599 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 22063381 NZUVEOGRTRNYQX-NZAISQPBSA-N 522.627 4.897 10 40 KJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 97947099 NRZAFVIUCAJDSD-UZQMFHLOSA-N 546.095 4.590 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)cc1 100345521 ABCNVAFXNZDQOU-FYJGNVAPSA-N 571.440 4.847 10 40 KJCB Cc1c(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)c(C)c(S(=O)(=O)O)c(C)c1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O 195761534 OYYZSRVQTPSXRG-UHFFFAOYSA-N 816.252 4.779 10 40 KJCB Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223188760 QYRPTELKTZAJCM-IAPPQJPRSA-N 503.716 4.801 10 40 KJCB Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223189130 JQZSFBPCDWDSTJ-NSOVKSMOSA-N 503.716 4.801 10 40 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519.648 4.555 10 40 KJCB COc1cc(OC)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025115 QKLLLLYGDBERAA-NDEPHWFRSA-N 533.625 4.580 10 40 KJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc(OC)c(OC)c(OC)c2)cc1 20288857 PTJFUOIGEGQUST-JLPGSUDCSA-N 518.526 4.766 10 40 KJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 28296973 VIKXUNNUNDDJDU-DBRLUCFCSA-N 510.549 4.761 10 40 KJCB N=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12 33355439 NPVFPCMFSRJMFE-RSPUHVBCSA-N 532.559 4.667 10 40 KJCB COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)O)c2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97972052 XWADIHYPVCFNQW-MRXNPFEDSA-N 574.494 4.641 10 40 KJCB biogenic Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 101156906 LNDUMNMWNDUWSG-BDTNDASRSA-N 506.341 4.997 10 40 KJCB COc1ccc(Cl)cc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 101193480 KPCHRNUDLYNHTL-BDTNDASRSA-N 522.340 4.697 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377499 CEMKCBJJHBJWHA-OVVQPSECSA-N 605.717 4.531 10 40 KJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 103922560 FOEMIMIJNZRDGL-QOMWVZHYSA-N 554.632 4.731 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I 408774268 YSCJDFKTQVVPQP-NTUHNPAUSA-N 622.584 4.614 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1 408805943 CUPFVUJOYZQQSF-UDWIEESQSA-N 537.366 4.799 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(C)c1 408854920 BDCYLUCMZUBWPC-DJKKODMXSA-N 565.376 4.740 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(I)c1OC 408869654 QEXFEGWIWPNJAO-UHFFFAOYSA-N 554.340 4.892 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036522 ROAXCQVUXGOYON-VEOKEAFVSA-N 657.789 4.773 10 40 KJCB 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O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 10113523 BKLUBJOKKGSPIP-UHFFFAOYSA-N 517.573 4.817 10 40 KJCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2OC)c1 97964905 BNZLPQJNMLEEBP-XGCFFSCVSA-N 534.619 4.891 10 40 KJCB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 103019383 WLVOUDPLSOEFFG-BTZRARBUSA-N 599.488 4.626 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 408786307 PAVXNUDTQGQBQL-AWQFTUOYSA-N 626.403 4.891 10 40 KJCB CCN1C(=O)/C(=C\c2cc(I)c(OC)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409009250 CKNFWBAXAVBYBY-OQLLNIDSSA-N 556.809 4.525 10 40 KJCB COc1ccc(OC)c([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c1 100969010 GOOSFYMDSXJJJB-OYUWMTPXSA-N 538.600 4.968 10 40 KJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102749517 LUDNBEDYZWKYCU-ZONZVBGPSA-N 508.534 4.865 10 40 KJCB 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GACDOMGYGKYROZ-RIYZIHGNSA-N 524.165 4.820 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 103849685 RWSMAIFCOTVEIZ-WOJGMQOQSA-N 560.294 4.815 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409260643 TYMDIJWHTCDSJF-LPYMAVHISA-N 563.994 4.740 10 40 KJCB CC(=O)N1CCCCCCCN(Cc2ccc(OCCN3CCOCC3)cc2)Cc2cc(N3CCOCC3)ccc21 643563319 PBBNAKRVTVPINW-UHFFFAOYSA-N 564.771 4.553 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC 8453527 KAQWFRCDFXHVOB-ZYSRDMNZSA-N 648.579 4.781 10 40 KJCB COc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 97961962 MBMDDXQDWXVMAH-WUXMJOGZSA-N 628.276 4.512 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100230152 QSXOGGHMQGIERF-FYJGNVAPSA-N 599.459 4.899 10 40 KJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(I)cc1 106749052 RFUZTBUBENQNCQ-ZDLGFXPLSA-N 524.380 4.687 10 40 KJCB 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CC(C)CCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 6076901 DDQCFUXHMIGNKO-RUZDIDTESA-N 550.729 4.564 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940871 WCGLEZNCJQWABI-NDEPHWFRSA-N 527.673 4.557 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 100414736 ILPOXZUIIHPZKN-NJYVYQBISA-N 536.765 4.798 10 40 KJCB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cc(Br)ccc4O)[C@H]3C2=O)cc1 100561461 ISCGDTXDYPVVLB-FSSWDIPSSA-N 529.774 4.868 10 40 KJCB COC(=O)c1c(N2C(=O)[C@H]3[C@@H](c4ccc(N(C)C)cc4)N(c4ccccc4)O[C@H]3C2=O)sc2c1CCCC2 102861277 SCUKSXPNAKBVMB-ISJGIBHGSA-N 531.634 4.531 10 40 KJCB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408597188 XUPLSQWENIHCBF-KRWDZBQOSA-N 501.004 4.664 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408798465 ILMOPYUMLSISTR-CIAFOILYSA-N 579.949 4.679 10 40 KJCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 408893575 BFCUJSOZGDQPAK-DHDCSXOGSA-N 507.768 4.875 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409076179 ZCJOBAXYAKZEON-WOJGMQOQSA-N 591.823 4.545 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409086126 YOFGUQTUMPFRMA-GZTJUZNOSA-N 542.382 4.981 10 40 KJCB CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]23)cc1 8397719 CGXVCUKBELAARW-RJGXRXQPSA-N 577.374 4.549 10 40 KJCB CC(C)Cc1nnc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)s1 9030132 TZWCTLZPODNZBA-UVTDQMKNSA-N 511.492 4.729 10 40 KJCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 9293276 GNQMLTCUIRIDDN-CGYHDWOCSA-N 510.623 4.879 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC 97964621 QLHYWCGCFHCLKL-PWWWXZSSSA-N 542.386 4.765 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 97964622 AAYUSMISCZQFCE-NMESBGBPSA-N 542.386 4.765 10 40 KJCB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408686901 NTOWDXBKPWWEGQ-KWXIBIRDSA-N 524.573 4.523 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1OCC 408814567 ZKIFLNCQPYKZNR-GZTJUZNOSA-N 501.377 4.920 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O 409069764 ABNGLSQSKSGRMI-UYRXBGFRSA-N 531.373 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1 409262535 HSJFMWPJSFMXQY-UDWIEESQSA-N 629.261 4.904 10 40 KJCB O=C(COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)Nc1ccc(Br)cc1 109309773 KXTMLQGQBUNNME-SCWSXOCZSA-N 533.469 4.847 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c(O)c1 408769977 RIOMJVXATUAHHU-UNDLXJOSSA-N 537.685 4.879 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OCC(=O)Nc4ccccc4)cc3Br)C2=O)c1 408851556 CTTILWHDJGFSJM-FYJGNVAPSA-N 638.471 4.939 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 408882711 RXZNWAPNTMTDNO-UDWIEESQSA-N 552.942 4.910 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409054235 IHAXHQHZAWVANQ-FQKMCRJQSA-N 626.573 4.568 10 40 KJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 409218245 DRUZGMOEEQWNIJ-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 409271002 JELPVHKHYLVUHT-CIAFOILYSA-N 655.445 4.609 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)C2=O)cc1OCC 409362574 IDGROAZOCQUYNA-LFVJCYFKSA-N 561.566 4.697 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(I)cc1 409372512 LJVFPMLZDFKQQD-GIJQJNRQSA-N 637.224 4.896 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 8395886 JXCDQZPILSWKLP-HKBOAZHASA-N 537.311 4.597 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 26503313 NBLHKKQCHWZDEW-IRKGSXJTSA-N 506.653 4.556 10 40 KJCB CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=O 59087256 BMEFVEZPEHBLMN-UHFFFAOYSA-N 504.743 4.678 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 97946247 BHZUTRCVOSHLPC-ULJHMMPZSA-N 564.733 4.700 10 40 KJCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101110685 SNMPYFACSAJTOE-KKUQBAQOSA-N 503.510 4.544 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1 103850832 MOFQTBPDFDYFHB-DEDYPNTBSA-N 542.304 4.676 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1 408878930 DDVQSRDMBUWRHC-DEDYPNTBSA-N 508.889 4.511 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408895988 MIRGDFRFFRMMGE-YBFXNURJSA-N 605.850 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409072940 WLTUUNLMGXJYGR-LDADJPATSA-N 561.399 4.745 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409253424 BSEKUZYKQVLJAL-MOSHPQCFSA-N 578.419 4.840 10 40 KJCB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccc2c(c1)OCO2 2143998 WBZPKIFBEBCTEK-UKWGHVSLSA-N 526.910 4.702 10 40 KJCB COc1ccc(N2CCN([C@@H](c3ccccc3F)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852159 AAZOOXNHPBGKLL-QFIPXVFZSA-N 505.575 4.816 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 96488905 KXFPUEAMDGWNNW-NJYVYQBISA-N 509.411 4.540 10 40 KJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(I)c1 101006123 DJPYZHBPNLDAMC-ZDLGFXPLSA-N 552.415 4.640 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C(=O)NC2=S)c(OC)c1 103780730 MCISURTXYKQAII-RGVLZGJSSA-N 587.439 4.547 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 150481385 SADDWPGHUIPXPZ-RQZCQDPDSA-N 644.334 4.883 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 225399532 YTMMSKBNGDATMQ-KAYWLYCHSA-N 592.703 4.955 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 225413151 VLULZDQQFZHGFT-RRPNLBNLSA-N 575.716 4.824 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 409068223 KSIVJERRMIAERF-ZEZCTPEWSA-N 579.722 4.853 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409081484 PLIIVKPCUGRBPT-LICLKQGHSA-N 526.820 4.754 10 40 KJCB CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4O)[C@@H]3C2=O)cc1 13751001 JOIKJQPYKCXRGS-GSDHBNRESA-N 517.538 4.921 10 40 KJCB O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 104194078 BRVBELKIZKMXMZ-CXUNTOSNSA-N 605.974 4.580 10 40 KJCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223188562 ACGMIWKFIRJZFC-WUFINQPMSA-N 503.716 4.801 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1NS(C)(=O)=O 225481214 SSVOMPFRMWEZIF-RRPNLBNLSA-N 563.705 4.752 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408818397 XUNFBXRESREIIG-RGVLZGJSSA-N 555.356 4.851 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1Cl 408848546 ZQLUILWHWXILBE-WSDLNYQXSA-N 505.958 4.817 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n32)cc1OCC 408931960 AFIXRLOOKDAYJK-FZLFTDMCSA-N 636.568 4.986 10 40 KJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408989347 HLZAUFYKDMWNBG-QGMBQPNBSA-N 712.209 4.979 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409060514 WXCWXTUOHDEEGO-NIJSQZSCSA-N 545.705 4.577 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OC 409142092 BCECVUVPGAGRPE-CXUHLZMHSA-N 574.849 4.816 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1OC 409247180 CIBPMWICTIDIRU-LICLKQGHSA-N 503.418 4.811 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 409264549 KVWGOPDHOCZOFM-LICLKQGHSA-N 649.800 4.776 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409364434 PNFYTAMJBZUALA-CIAFOILYSA-N 567.957 4.570 10 40 KJCB COc1ccc2c3c(n(CCc4nc(-c5ccc(N(C)C)cc5)no4)c(=O)c2c1OC)-c1ccccc1C3=O 604404652 IKAQCUHMOXEODX-UHFFFAOYSA-N 522.561 4.589 10 40 KJCB biogenic O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(F)cc1 658842 OACPAYNQXHOQBE-ODLFYWEKSA-N 572.387 4.576 10 40 KJCB COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 41083712 BVISKCYAKZEBLZ-FDGNSCPVSA-N 503.989 4.592 10 40 KJCB COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 41108286 UZGWULNFBPYXGR-JUWLHOMFSA-N 517.523 4.870 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330001 BLXYZIAWEGJZRA-IRPSRAIASA-N 621.664 4.803 10 40 KJCB O=C1/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 101043535 FFRWXEDQRDWBJQ-NBOCOGBRSA-N 549.077 4.895 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(F)cc1 103852139 TWGFFYACCPCKBE-LICLKQGHSA-N 606.388 4.988 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 408901124 VYHIAYVLKBUVHM-ULJHMMPZSA-N 564.616 4.617 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)c1 409346496 LBKZHEKSDGMWTJ-DEDYPNTBSA-N 509.634 4.620 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409382663 MYTOPTJPTOSDDT-VULFUBBASA-N 648.554 4.821 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCc3ccco3)nc12 1307159 VLUWSQRYENVRLX-QNGOZBTKSA-N 502.621 4.652 10 40 KJCB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cccc([N+](=O)[O-])c2O)c(OC)c1 19326139 VDAXELJSGQLKTH-UHFFFAOYSA-N 523.586 4.742 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 158269795 FMPYQURAUHEEPG-ZCWBPALNSA-N 681.552 4.848 10 40 KJCB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)O)n[nH]2)c1 408630751 AUGYCTLDFWZWCQ-AUEPDCJTSA-N 520.567 4.843 10 40 KJCB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCOCC1 408714735 MIRQMZHDDPUBTD-UHFFFAOYSA-N 531.055 4.566 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409224480 HVLLRTCALXTLJY-UDWIEESQSA-N 505.958 4.817 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Cl)cc1 409375766 OYVIHCSDFVXDKW-UDWIEESQSA-N 584.810 4.795 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F 409377538 IDBJVJALSWNHFY-WQRHYEAKSA-N 627.379 4.579 10 40 KJCB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 2411022 XMEICTUTYZKZAH-QJOMJCCJSA-N 538.720 4.935 10 40 KJCB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC 8830097 BBEDGAJDIJKHKB-OYUWMTPXSA-N 538.600 4.968 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 33354226 MXNJZNTYXRKCIT-ONAIEWRJSA-N 533.031 4.700 10 40 KJCB COc1ccc([C@@H]2NC(=S)N[C@@]34Oc5c(ccc(O)c5O)[C@@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 33699198 ISPSPYAXVKKUQA-OFXBGWBLSA-N 518.635 4.971 10 40 KJCB O=C1N=C(O)/C(=C/c2cc(I)c(O)c(I)c2)C(=O)N1c1cccc(Br)c1 97960611 HEDYSQFXIPUIKB-WCIBSUBMSA-N 638.981 4.871 10 40 KJCB CN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=O 104882313 ARAPIGNCWCFARI-UHFFFAOYSA-N 530.806 4.960 10 40 KJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223146689 ITVDJCOJTDYNBB-IZZNHLLZSA-N 510.107 4.756 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 223523787 JCMSWWCCGDAENY-URLMMPGGSA-N 524.694 4.893 10 40 KJCB CC[C@@H]([C@H](C)O)n1cnn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 226849347 UQVXLZZMWCZLHS-NTAUFNCHSA-N 700.791 4.573 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408955314 UCTBOGDPEBDCCE-CAOOACKPSA-N 541.343 4.976 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c(OC)c1 409060620 VLXHBPYTZBYHLB-ASUJOLEISA-N 594.737 4.800 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 409069472 JCXSDXFATXHHEK-XDHOZWIPSA-N 697.301 4.887 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(I)c1OC 409221021 JJACGYVZCTYNQH-LICLKQGHSA-N 550.418 4.653 10 40 KJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 409247872 OOTXNSSJXJVUID-LDADJPATSA-N 500.454 4.583 10 40 KJCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409384402 CEXBXKQSRRZJJI-NDENLUEZSA-N 553.040 4.917 10 40 KJCB COC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)o2)ccc1Cl 13601936 BYMMZKBPFRHYHK-BOPFTXTBSA-N 501.720 4.611 10 40 KJCB CC[C@H](C)C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 13757149 KDTDOWKIESEMSI-LBPRGKRZSA-N 521.682 4.943 10 40 KJCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13803596 XERODKWCMJLGTL-SFHLNBCPSA-N 500.294 4.658 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 100068094 IAJCLZFOJNDCHO-GVMLUORFSA-N 577.062 4.767 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 225430741 SRZDOGXOVNRLOG-IZLXSDGUSA-N 622.729 4.963 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408785386 YRBXSFAEIUHSCR-UNDLXJOSSA-N 537.685 4.879 10 40 KJCB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 409024771 WLUSELQDDYLWGI-PKYOQBLNSA-N 555.700 4.911 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1Cl 409071408 JUFJXVDEIJVWAK-XDHOZWIPSA-N 575.824 4.845 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)sc2c1CCCC2 409191310 VDJMZPHQQIVUFM-KGENOOAVSA-N 577.684 4.741 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1 409222101 AYHLYQOSKBOYST-RGVLZGJSSA-N 524.360 4.986 10 40 KJCB COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c2)cc1 409267873 PLJUYDYJAQREIC-CFRMEGHHSA-N 534.615 4.843 10 40 KJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 1410433 JZFPVOKPFAXOLB-UCQKPKSFSA-N 507.637 4.977 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225399436 MCYGYYCZOPGRLT-RRPNLBNLSA-N 592.703 4.955 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)sc2c1CCCC2 408781010 PTGUUEDMZXKHTO-XSFVSMFZSA-N 517.607 4.796 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c2=O)=N1 408922267 CXDHCIARENQALL-DDIUQFJASA-N 641.746 4.891 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408944970 VPHQMKCMAOZHQQ-VXLYETTFSA-N 569.339 4.540 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408985273 WELNYPZCSMQRCK-HAHDFKILSA-N 514.534 4.591 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409059941 YZSWGXPAARFNAR-MKWGYRPRSA-N 536.097 4.749 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1)Nc1ccc(Cl)cc1 409219250 KLZGEOXRBCNUBA-CIAFOILYSA-N 510.333 4.677 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C(=O)NC2=S)cc1 409379861 AFACEIQAJKDXIN-BUVRLJJBSA-N 510.575 4.992 10 40 KJCB O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O 5851504 ODIBIVIJJVLMIU-PLRJNAJWSA-N 513.513 4.938 10 40 KJCB COc1cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 8917722 XBRBDPQLQNRWRF-PVHODMMVSA-N 509.558 4.735 10 40 KJCB biogenic COc1cccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414614 JUQYVWPODHWDKS-RZUBCFFCSA-N 522.340 4.697 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N2CCOCC2)cc1 223449731 FJZOQKCBBIEMHX-WDYNHAJCSA-N 524.694 4.893 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408897413 MZVCEFMQAQCVTG-MTJSOVHGSA-N 566.364 4.920 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408910112 JEVZHVOEULUGGE-DJKKODMXSA-N 525.876 4.641 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 409260271 NOBQZCLSIIRTOE-ODLFYWEKSA-N 645.837 4.946 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386621 QSKYGZYVQHZBPU-SFQUDFHCSA-N 523.611 4.703 10 40 KJCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(C(F)(F)F)nc4)c4ccccc34)[C@@H]21 1565524243 GXYMXQFJAYEAIB-RUZDIDTESA-N 505.500 4.841 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 3279425 NQQLTOBZYNBIMJ-QGZVFWFLSA-N 543.403 4.951 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(I)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100506373 GKVGGQGTXNBZNT-VJBWXMMDSA-N 577.374 4.603 10 40 KJCB COC(=O)C[C@@H](c1cc2ccccc2n(CC(C)C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108451395 AKFIYHMFNQEARU-SFHVURJKSA-N 587.581 4.654 10 40 KJCB biogenic COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O 225484967 MZOBSRVFSFVDBX-SVBPBHIXSA-N 562.721 4.750 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 408762070 MSAPDXDNZLFKBT-NDENLUEZSA-N 553.434 4.877 10 40 KJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408770942 BEIOPJKYWBBLDL-RMTSEHLMSA-N 524.617 4.858 10 40 KJCB O=C1NC(=O)C(=Cc2ccc(OC(=O)c3ccc4nc(-c5ccccc5)c(-c5ccccc5)nc4c3)cc2)C(=O)N1 408926767 YIPDDBJFGQTDMN-UHFFFAOYSA-N 540.535 4.932 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(Cl)c1 408937235 NLAOPMJQGOSNNH-FYJGNVAPSA-N 521.913 4.892 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 409048734 SWECZXCTPQNHLF-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3)C2=O)cc1 409226699 RIZDETJIDOXTIZ-HZHRSRAPSA-N 578.419 4.840 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409246797 BHUDBGCNEJAKPO-KGENOOAVSA-N 505.958 4.899 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409252559 CIBYHNTWBJPTNA-RGVLZGJSSA-N 551.958 4.788 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1C 409262885 JILNIBCWOUTXDC-QRVIBDJDSA-N 517.969 4.949 10 40 KJCB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)nnc2n1 3298961 PMEPBRSDIGDKKU-UHFFFAOYSA-N 505.652 4.660 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1Cl 103593351 VXQZRPQQMDDNNP-XQWBAOJFSA-N 539.061 4.778 10 40 KJCB CCOc1ccc(N(CC(=O)NCc2ccc(N(CC)CC)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 225507956 FNYWDARMJFXVBV-UHFFFAOYSA-N 513.635 4.582 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)C2=O)cc1 408893488 GLBDDWXYWQCEJK-HZHRSRAPSA-N 504.514 4.869 10 40 KJCB CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)cc1 409190695 PXEMPCAZVCRWBR-LFVJCYFKSA-N 501.608 4.966 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 409236686 GGEHBKKCOLTMEI-HZHRSRAPSA-N 501.608 4.719 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1Cl 409374064 YJFAYRUSUUZWSB-GIJQJNRQSA-N 501.322 4.836 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Br)cc1 409380948 CJDVBGLOVLZDLY-RGVLZGJSSA-N 584.810 4.795 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2=O)=N1 8451350 VLCHLUUQIWRCRK-MBSKNMOHSA-N 629.735 4.732 10 40 KJCB Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 9460916 FDOMCQDBVIYUBV-BKUYFWCQSA-N 526.659 4.770 10 40 KJCB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 13810287 TWJIPUQXMAQJLD-ZKNSXIRRSA-N 517.588 4.767 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C(=O)N=C2O)cc1Cl 17044627 GRRJOEAXYMNEKP-CPNJWEJPSA-N 500.338 4.753 10 40 KJCB Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 100762045 DORXQFVKKLRDBD-BWAHOGKJSA-N 559.761 4.859 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 101587106 PDRRVGGXVULFDS-SXGWCWSVSA-N 542.376 4.666 10 40 KJCB Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(/N=N\c3ccc(/N=N\c4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 104389015 JYMNCHGLWDWNND-OUYNTLDRSA-N 607.604 4.699 10 40 KJCB 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CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OCC 409258534 XIHNNJHBANANAS-XQNSMLJCSA-N 573.602 4.567 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2)c1 409263255 IMUKLQPFCSJDKS-STZFKDTASA-N 517.969 4.949 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1F 409381295 SSTOODHCSFFDJB-WOJGMQOQSA-N 572.774 4.926 10 40 KJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCCOc1ccccc1 41082655 UAWBCRHBZIXPGD-LEHBZZPOSA-N 512.360 4.756 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(OCC)cc3Br)C2=O)c1 103845797 GOSYTGDPHOKJSA-GZTJUZNOSA-N 547.402 4.710 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408805183 JGRKAYSPQKXIQS-RGVLZGJSSA-N 582.363 4.707 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408940001 NIEYHOLEXDOOPM-CIAFOILYSA-N 534.952 4.991 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC 409135166 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97946983 XENIGWNELNYCGB-SCWSXOCZSA-N 560.520 4.690 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103852221 REXRKKWOOJSSAN-LICLKQGHSA-N 586.395 4.915 10 40 KJCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br 409032749 NDXQASYZWASYSX-IZZDOVSWSA-N 533.247 4.893 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)C2=O)cc1OC 409259025 YWCVDFXIFYLARC-XYGWBWBKSA-N 557.603 4.785 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC 409376531 YVXHUVBCODCDNM-UYRXBGFRSA-N 594.418 4.540 10 40 KJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1Br 409382882 XAJMFNQPMRDKPR-HMAPJEAMSA-N 528.472 4.917 10 40 KJCB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1 408533530 KAACTWFSCAHOQH-JATMWHASSA-N 523.383 4.627 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(F)cc1 408694207 FTXWAKPTKUUTPY-YBFXNURJSA-N 578.378 4.812 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 408772791 RGCYBEGPXMEYLT-GIJQJNRQSA-N 602.768 4.919 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 408799970 MDZGKDYORWTMTP-RGVLZGJSSA-N 582.363 4.620 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1F 408888720 ZPGAHWHIOLWUSC-YBEGLDIGSA-N 543.320 4.981 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408896964 VANYSASIFVOGHC-XSFVSMFZSA-N 555.008 4.790 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409079724 LYKUJSFHRZYFSR-RQZCQDPDSA-N 538.856 4.624 10 40 KJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)SC1=S 409132304 XGZWHEBGASCDBE-HMAPJEAMSA-N 500.646 4.840 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(I)c1OCC(=O)OC 409145685 PCBKEOKKYBVSGQ-VCHYOVAHSA-N 646.912 4.750 10 40 KJCB Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2I)c1 409398501 BMHQXWHWQLTQAX-MOSHPQCFSA-N 510.331 4.640 10 40 KJCB COc1ccc(CN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 906014 LBDDIDRMPMVMFN-WJOKGBTCSA-N 554.695 4.725 10 40 KJCB CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1251601 WRKHEFGMDMKAKK-VHEBQXMUSA-N 505.543 4.672 10 40 KJCB COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1\C(=O)N(c2ccc(I)cc2)N=C1C 8989979 FHLSWOMIBJIUSO-LCYFTJDESA-N 512.691 4.580 10 40 KJCB Nc1ccc(C(=O)N/C(=C\C=C/c2ccco2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 17190733 NXYPOZHHRVRHCP-ZXBXSPEESA-N 500.514 4.998 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c(C)n1-c1ccccc1F 103114071 FVNSJDNZUXMWGQ-UHFFFAOYSA-N 526.476 4.957 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O 225431860 SRTOLVLUBUNGPJ-KAYWLYCHSA-N 562.721 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408804935 HKVSHXJGKJRQSM-HYARGMPZSA-N 515.522 4.856 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)c(OC)cc1Cl 408829862 XPJAJTYSOFKSSV-VCHYOVAHSA-N 567.938 4.519 10 40 KJCB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC 6135930 PXVCGJOQBRJKSS-MGBGTMOVSA-N 598.748 4.776 10 40 KJCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c1 101130404 OIZCASAOMXEDTK-YTFSRNRJSA-N 530.374 4.761 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 408541830 HWSWKMMVVGHHRD-LFVJCYFKSA-N 507.546 4.705 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1 408898365 LRWYUYYZLQLPLI-PDGQHHTCSA-N 517.376 4.702 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408933475 AFSWDXKCMHXIIK-OEAKJJBVSA-N 515.522 4.856 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 409242710 SOXYQSGFGHLNFW-WSDLNYQXSA-N 506.540 4.686 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409261082 AZTRSTYDRXFVJY-MOSHPQCFSA-N 547.995 4.958 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3C)C2=O)cc1 409273502 YPNBRPLSSYDFEC-NDENLUEZSA-N 671.298 4.991 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)cc1 15230419 ARWROHHSHZQKAQ-XKZIYDEJSA-N 510.593 4.716 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 32109361 UWALRSXGCTUSJG-MJSBPXROSA-N 514.991 4.844 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)c1 103842320 NHADCROYBIMEKH-GZTJUZNOSA-N 547.402 4.710 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 408554042 YMSWSDTXMYUJPB-GRSHGNNSSA-N 555.330 4.586 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 409059177 UVWOXBKSBICPRU-NTUHNPAUSA-N 559.008 4.649 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c2C)sc(C)c1C 409204348 GCRISUPTTBHXMF-YBFXNURJSA-N 511.600 4.529 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 409382712 PUSVDWADCPSBBB-MOSHPQCFSA-N 554.386 4.994 10 40 KJCB CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3C)N=C2C)cc1 5946962 BOXLCDCQJQRJLY-ZHZULCJRSA-N 505.438 4.507 10 40 KJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1 8816917 JHRBABRIALSDEL-VKRJAPGXSA-N 522.627 4.816 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 16309585 VWVGQRJPGMGTMW-UHFFFAOYSA-N 528.074 4.510 10 40 KJCB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)S2)cc1 18193854 GXXHPQJWMXQCDD-BOPFTXTBSA-N 510.353 4.790 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O 225484418 DMJDBLZTBYNQKL-WUFINQPMSA-N 622.729 4.963 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)C(=O)NC1=S 408742174 PZCULXPJNQVLKJ-VZUCSPMQSA-N 669.076 4.504 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)sc2c1CCCC2 408784666 RLAIVBVHHVHUQS-KGENOOAVSA-N 549.674 4.661 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 408848112 PGAHHHCCOJQGCT-MDWZMJQESA-N 557.839 4.819 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 408865882 CJEITYDMUXDFQJ-HYARGMPZSA-N 563.404 4.892 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 408893536 AZRRCKIPRSIHKY-ZHZULCJRSA-N 555.406 4.500 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409073912 UNJZHJHUWGBAEG-HMXFMCBNSA-N 553.684 4.560 10 40 KJCB COc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 2374592 DKZCPDRGOMCJFO-IAWHSNBSSA-N 522.590 4.791 10 40 KJCB Cc1c(N[C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 4235440 WOYXZSPIKXPEHK-RUZDIDTESA-N 551.647 4.534 10 40 KJCB biogenic CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 9461907 YUPJEBDAWYMCDT-KQWNVCNZSA-N 517.680 4.819 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 13894556 XBUUHRMROUDEET-NZAISQPBSA-N 522.627 4.897 10 40 KJCB Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 103659431 YTRHWHSCVNHLAL-KQWNVCNZSA-N 549.697 4.612 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1 103851867 QARMIYFWYFMVQP-SFQUDFHCSA-N 558.372 4.841 10 40 KJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C(=O)NC1=S 104881722 JQSRLIKXHWJNNK-CIAFOILYSA-N 526.456 4.746 10 40 KJCB COc1cc(COc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)ccc1OCc1ccccc1 408537204 CTCOEERUCKUFAK-UHFFFAOYSA-N 583.460 4.539 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1C 408757258 LMXJXRQCSIRWPC-MTJSOVHGSA-N 507.388 4.843 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408887434 QPXVGJIAULSPBD-FYJGNVAPSA-N 646.459 4.605 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Br)c1O 408896537 RSASNQGBYSHBBW-UHFFFAOYSA-N 509.381 4.912 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)cc1 408899542 QERQBEVVUXWVHU-DEDYPNTBSA-N 524.982 4.699 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC 408980969 GXKHDCQAKNDRRW-RGFRMHDHSA-N 541.673 4.523 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408991530 YECANMIFSQKJBL-PQRKSKNISA-N 554.716 4.580 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C 409141719 JURXJLPHARGXFL-CXUHLZMHSA-N 550.418 4.535 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 409217692 AADXBBRVSPLSBE-YBFXNURJSA-N 555.330 4.586 10 40 KJCB CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 409400236 QTLTVILHNAMXQV-CDCQXCROSA-N 588.183 4.535 10 40 KJCB COc1ccc([C@H]2c3ccc(O)c(O)c3O[C@@]34NC(=S)N[C@@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 6304127 ISPSPYAXVKKUQA-XNIAFWOFSA-N 518.635 4.971 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCCOc1cccc(OC)c1 13941831 XSJNBMFGATYJIS-WQRHYEAKSA-N 510.431 4.803 10 40 KJCB COc1cc(/C=C2/N=C(S[C@@H]3C(=O)N(c4ccccc4)N=C3C)N(c3ccccc3)C2=O)cc(OC)c1OC 17836895 CHYQGZWGIHYDAY-MEVAHUFZSA-N 542.617 4.981 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 100229356 MOWCESNQGBHNFR-XHPQRKPJSA-N 560.603 4.543 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(F)c(Cl)c1)OC21C(=O)c2ccccc2C1=O 100542072 VDTDCNPFABPXQH-NJYVYQBISA-N 554.755 4.937 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1F 101429798 WLXBTQAJXREGGH-XDHOZWIPSA-N 525.330 4.842 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]23)cc1 169680813 ABZJBTHHXFRTBH-YPAWHYETSA-N 506.341 4.997 10 40 KJCB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)O)cc3)n2)ccc1S(=O)(=O)O 195766481 SDNMRBNQFIJFSV-DXNDAFLNSA-N 807.032 4.934 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 408769104 NXDUXEJBUNYIHK-LMSRTUJASA-N 550.055 4.998 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408818607 XOJRUNWQUNRUKL-YBFXNURJSA-N 525.330 4.842 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1C 408854371 DHUHMKBNRKKIIT-SRZZPIQSSA-N 507.999 4.894 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(I)c1O 408970068 ZSRZKUKKADSDMR-JYRVWZFOSA-N 502.230 4.744 10 40 KJCB COCCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O 409016410 SLQLLQSJDALGGS-UQQQWYQISA-N 524.533 4.623 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1OC 409364920 RKAWWGUZHDKCMX-MTJSOVHGSA-N 612.010 4.969 10 40 KJCB COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c31)c(=O)n2CC(C)C 108450582 OXXDXLLAEJABHW-GOSISDBHSA-N 585.565 4.703 10 40 KJCB biogenic CCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408538772 QQABBPKCKNSEPS-PDGQHHTCSA-N 517.376 4.789 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(I)c3)C2=O)cc1 408783236 LKUNTDJVVKOPGE-DEDYPNTBSA-N 538.341 4.845 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 408907974 ABAMYAMZGVJPFJ-WUXMJOGZSA-N 530.227 4.600 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1OCC 408911906 OXJBEVFRFPJQNG-NNAGEYCMSA-N 601.725 4.622 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409104796 FMMGXGMCLNHRNL-DEDYPNTBSA-N 507.999 4.674 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409107002 PPVXQZHBMNOALA-ZRYJBNJPSA-N 625.751 4.774 10 40 KJCB 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COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C(=O)NC2=S)cc1 408751871 DEGIXHNBSLRQEL-STZFKDTASA-N 523.408 4.868 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C 408755450 NTRARUVRSIHSJF-YBFXNURJSA-N 553.369 4.748 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408868796 OVCGVRLXNRABLD-DEDYPNTBSA-N 547.416 4.942 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1ccccc1Br 408877778 ULRAXVLKSSESGL-RGVLZGJSSA-N 536.338 4.623 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409078941 FADZFHIWNABNOY-FQKMCRJQSA-N 651.539 4.885 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(Br)c2)S1 409090119 LCQYESNBGHCUTM-CXUHLZMHSA-N 510.207 4.897 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(F)c4)c3)C2=O)cc1OC 409133972 RFKMXAXGLCGESX-IWIPYMOSSA-N 518.541 4.864 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409254547 HYWYYJCPAASTKE-MTJSOVHGSA-N 684.443 4.899 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)C2=O)cc1OCC 409255514 LLUMUAFQKVPZAJ-KOEQRZSOSA-N 557.603 4.866 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 32109385 MMPQMMVJAPEHRH-UKHUTJJTSA-N 522.627 4.897 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 97947232 IENBJEMRUADEFL-NMWGTECJSA-N 551.713 4.942 10 40 KJCB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 97958666 FKPANLRFGWCBDY-HMAPJEAMSA-N 626.449 4.895 10 40 KJCB O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S)c1ccncc1 100859952 XRFVQZSOGQZUOE-NDENLUEZSA-N 526.983 4.768 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Cl)c1OCc1ccccc1 108423000 DGBNXVIHDGPYKO-XKZIYDEJSA-N 526.014 4.771 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)ccc1Br 408752856 CTIGKYHYBQXVCR-FYJGNVAPSA-N 536.338 4.911 10 40 KJCB Cc1cc(C)cc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 408760883 AQKBAZRPEGGGLQ-IWIPYMOSSA-N 508.603 4.728 10 40 KJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408798377 HZSPXIFZBORVHU-XNTDXEJSSA-N 508.166 4.667 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 408844444 IZLSQSFMRIBWDU-UDWIEESQSA-N 525.330 4.842 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OC 408854168 YZWLZBFOUVJMMV-YRNVUSSQSA-N 577.227 4.837 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 408870491 FKHGDUNKPYHHPE-UNOMPAQXSA-N 570.408 4.710 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 408983560 LMDNOGKVIZGUAP-NULZLWRNSA-N 555.700 4.831 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl 409193038 HKBQARGKQLGBDH-GZTJUZNOSA-N 514.390 4.930 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4Cl)C3=O)c2C)sc(C)c1C 409204912 LWSIYBJCXRQFAV-YBFXNURJSA-N 526.014 4.874 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409259594 BESMCLJMFWVJAO-CIAFOILYSA-N 547.995 4.958 10 40 KJCB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1 2427161 YNSPZAUKPYUQCP-NJDAHSKKSA-N 544.199 4.968 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC 408780058 RBIWEQWOGYJXAV-RIYZIHGNSA-N 614.820 4.816 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408889369 DBIHGPAWWWGZJB-YBFXNURJSA-N 540.301 4.742 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408998512 QUFNFAZTWAOHHP-QRVIBDJDSA-N 506.942 4.823 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c(C)c1 409242274 QGSROFKXQVRYRY-ZVHZXABRSA-N 533.606 4.873 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409261225 BAWBKPWTXRABPD-OCKHKDLRSA-N 690.834 4.854 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C2=O)cc1OC 409272197 PHBWJAFYSIPWLX-XYGWBWBKSA-N 557.603 4.785 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C 887377 NPOYZARQFUXKOK-MUUNZHRXSA-N 557.724 4.918 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 8450473 MAHGSEWARQDUCM-WKULSOCRSA-N 598.725 4.876 10 40 KJCB COc1ccc(N2CCN([C@@H](c3ccc(C)cc3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852410 XQYFCRBSBZCHLA-QHCPKHFHSA-N 501.612 4.985 10 40 KJCB Cc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 43071364 JICUQZNLMIVTEY-JMIUGGIZSA-N 523.954 4.816 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 105516307 QTSODSFWDQFQDI-QPJBPQEWSA-N 606.542 4.977 10 40 KJCB 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COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409262124 CTKNHWIPSUIORP-NDENLUEZSA-N 625.419 4.601 10 40 KJCB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409331884 PFTXZBYCZIFGSZ-QGMBQPNBSA-N 522.398 4.526 10 40 KJCB O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1 409400925 VOKBZRVWLUHOSM-ODLFYWEKSA-N 544.764 4.721 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 8453101 MWZQUPMGAJPSAL-JFBHZCMBSA-N 650.398 4.557 10 40 KJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 58903803 ZNPSUODXWAQETH-UQQQWYQISA-N 504.583 4.718 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 103859119 SFZAKBVSAKFGQV-MHWRWJLKSA-N 515.703 4.727 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314110 KMVLBIXARHLRLT-OWAUWMPXSA-N 507.616 4.557 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408761834 BTILDWJKXRNGLT-FQWZWQHVSA-N 648.579 4.781 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408834801 MABLLKKATCFFFP-MRWVFDTMSA-N 613.736 4.918 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 408888496 WCEGXQSFMPZVIT-FYJGNVAPSA-N 524.982 4.699 10 40 KJCB O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br 409066297 KYOBEUZRBPEXGA-XCVCLJGOSA-N 593.011 4.648 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1Cl 409070395 GBIMRVKUGWSREF-UDWIEESQSA-N 531.373 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCc3ccc(C(=O)O)cc3)C2=O)cc1 409071975 TWJQVBSFOJFNPW-RGVLZGJSSA-N 541.343 4.946 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1 409338238 GJTSJHNTNFWAQT-HYARGMPZSA-N 521.576 4.729 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)OC 409342158 AGTSFDRYIDPVTH-WQRHYEAKSA-N 569.442 4.956 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 409401742 ZNEIAGLWLGLOGT-ZDLGFXPLSA-N 512.291 4.537 10 40 KJCB CCC(=O)Nc1cc(N(CCOC(C)=O)CCOC(C)=O)ccc1N=Nc1ccc([N+](=O)[O-])cc1Cl 606508552 ZDORFLXCSSFUIE-UHFFFAOYSA-N 519.942 4.945 10 40 KJCB COc1ccc(NC(=O)CC(=O)N2N=C(C)[C@@H](N=Nc3ccc(S(=O)(=O)c4ccc(N=N[C@H]5C(=O)N(C(=O)CC(=O)Nc6ccc(OC)cc6)N=C5C)cc4)cc3)C2=O)cc1 263593510 BIIOLFWQCLKOSV-XPSQVAKYSA-N 848.855 4.988 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1 409053700 HCUMCKDSKRHNHY-XKGHIZKOSA-N 540.714 4.844 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 409069556 JPPCLQRNICPSJY-VXLYETTFSA-N 697.847 4.686 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 9235803 XFHKLDXVNWXOTL-WOJGMQOQSA-N 507.431 4.696 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 100517595 WRKVOYLBJLJCQZ-BDTNDASRSA-N 550.792 4.793 10 40 KJCB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 225412308 ICMJHBSGGGMSJB-DQEYMECFSA-N 503.653 4.729 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 408815364 WLFYICPCSODDTF-FYJGNVAPSA-N 508.889 4.511 10 40 KJCB CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)N(c2ccc(Cl)cc2)C1=S 409012663 KZJPHLASEIRKKB-OQLLNIDSSA-N 509.809 4.683 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409253591 XFEVPVITURQTBO-MTJSOVHGSA-N 655.445 4.696 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1Cl 409256560 MAOQHXHMODZQIU-GZTJUZNOSA-N 528.323 4.816 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 409364956 RQFRCCMUCJNZNY-LPYMAVHISA-N 581.984 4.960 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 8435008 KWYITRHGYBEVOM-VSKRKVRLSA-N 506.341 4.684 10 40 KJCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(I)cc1 8820358 KWMDXKBIHTZBNV-GUSDSWBTSA-N 506.390 4.687 10 40 KJCB O=C1C[C@H](c2ccccc2OCc2ccccn2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 97971837 JCDWPTAHMPUDGD-LJQANCHMSA-N 523.497 4.992 10 40 KJCB biogenic COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 100321140 DPIGFSACVHOQDH-STZFKDTASA-N 523.383 4.685 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 163725936 UVPNDKWJWJBDKN-ASZNLBCTSA-N 666.585 4.876 10 40 KJCB CN(C)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3Br)C1=O)n(C)c(=O)n2C 408536435 WMCHRHGJYXQWIR-LTGZKZEYSA-N 647.574 4.752 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408883019 SSALFCLOEYXQJF-RGVLZGJSSA-N 567.367 4.641 10 40 KJCB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n21 409059630 RHPRBJSTAFCVFO-BIWBSIMWSA-N 610.574 4.948 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 409068505 GSNDGXSDHWCBHH-XDHOZWIPSA-N 591.823 4.545 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1O 409162100 RMSFVVRQWIZNSQ-OVCLIPMQSA-N 513.822 4.671 10 40 KJCB CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)ccc1Cl 409174273 UURLMRQOFHHRPE-UCQKPKSFSA-N 603.053 4.717 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl 409196275 VELNLJRCOPCFKV-QTTRZTASSA-N 562.091 4.868 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1Cl 409260702 UYELZCSRKKNZTJ-GRSHGNNSSA-N 540.359 4.691 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 409373901 WSDHJKNAHHBMOL-GIJQJNRQSA-N 545.773 4.945 10 40 KJCB COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 409376120 USGGAYXJKBTKNB-DIBXZPPDSA-N 577.593 4.958 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 409386627 VYICRJUBTOPKBS-OVCLIPMQSA-N 547.372 4.704 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)(C)C 409399649 LESOLCUNQOBSKY-UVTDQMKNSA-N 524.209 4.859 10 40 KJCB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 101548797 IZHMRRHZCVOPKW-ACCUITESSA-N 530.675 4.988 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408527982 ANVBMJCSYKCJFJ-FYJGNVAPSA-N 520.925 4.633 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408896541 RTYIDUOMGIQFJI-KGENOOAVSA-N 569.433 4.808 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 408954044 RDJRJDCDXSKHEU-AWNIVKPZSA-N 516.249 4.557 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C 408981850 DBLJFVKPPKXYEW-GRSHGNNSSA-N 508.918 4.639 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409224475 LRKPBTAWZOJOHZ-KEBDBYFISA-N 599.383 4.984 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 4119491 QLYVJQOGLHGYQB-HKBOAZHASA-N 536.765 4.798 10 40 KJCB O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 13799723 YYGSBDZHQQJGNI-PTNGSMBKSA-N 509.341 4.940 10 40 KJCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 101211880 GGWALAQWCFONRX-QPTFLMPZSA-N 527.025 4.908 10 40 KJCB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3cccc4c3C(=O)c3ccccc3C4=O)cc2)cc1 103114092 DHCPBQUENKBDDE-UHFFFAOYSA-N 534.524 4.518 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 223314410 QPYAQVSEGGCOJE-LQGLAIQGSA-N 507.616 4.557 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225518824 TWLPZWUYBFRITR-NSOVKSMOSA-N 539.661 4.887 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC 408738592 MGSZZQFBCONPJH-LAUBZIAYSA-N 571.699 4.613 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)cc1 408789480 LIXXAPFRIBSBIM-HYARGMPZSA-N 571.440 4.929 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC 408800622 OAEQIJOAIBHNCW-LDADJPATSA-N 548.377 4.708 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1C 408854485 GNXWNJJGXCNUOW-WQRHYEAKSA-N 510.300 4.901 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1 409062684 YXBACIZNSATQNO-PUUMDJTNSA-N 534.685 4.783 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 409068351 SGDMCFLPIDMQLV-VCHYOVAHSA-N 609.827 4.868 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)ccc1Br 409188772 AJBUBRBEGUSXDQ-UDWIEESQSA-N 538.423 4.695 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1OCC 409255698 IHYBKKHDXRDZKD-JJIBRWJFSA-N 543.576 4.558 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9191805 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NC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)sc2c1CCCC2 1746970 YQILPYHWBDUEOI-NVNXTCNLSA-N 526.492 4.873 10 40 KJCB Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 100054577 AZPSSDWPMSICSH-JIMJEQGWSA-N 509.566 4.820 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100314933 ZWSWAFPYZCAZBD-XSFVSMFZSA-N 528.589 4.777 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330022 ZMXVGSMNNJHOBS-XRKRLSELSA-N 621.664 4.803 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(I)cc1 101481316 IEBQUBUMHBYULD-PWRODBHTSA-N 583.765 4.640 10 40 KJCB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 103806004 LPHRFQOWAFJWEI-UHFFFAOYSA-N 559.585 4.666 10 40 KJCB O=C1NC(=S)S/C1=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408996189 OQRKXGXALSQOHO-VGOFMYFVSA-N 623.231 4.662 10 40 KJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccccc1Br 409382850 SBWFXUKEPVVFKY-MOSHPQCFSA-N 502.434 4.905 10 40 KJCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N(C)C1=S 59139398 BYRCFKZTPBWJMT-UHFFFAOYSA-N 514.228 4.934 10 40 KJCB Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)cc1 102469378 NAFDIVUXPXBXAQ-BOJMXSMESA-N 510.623 4.630 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 102472792 KFZSFDRDLGDGKF-JHKOBTARSA-N 502.644 4.849 10 40 KJCB CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC 210609747 BZJTXFBSGFEHQT-DHDCSXOGSA-N 552.219 4.984 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)C(C(=O)OC)=C2C)cc1 408883706 RWQIASIWMLDOPZ-BUVRLJJBSA-N 601.475 4.797 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OC(C)C 408901655 ZLYFGBLCCDEKHA-VCHYOVAHSA-N 548.377 4.760 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409046743 LOXSYIHCGZHIKR-CIAFOILYSA-N 596.409 4.979 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 409048663 UFPYTFCEJJGRBR-LPYMAVHISA-N 608.445 4.849 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 409075520 RHMLKAABJLZTOR-LICLKQGHSA-N 535.336 4.567 10 40 KJCB C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1)c1ccccc1 13778976 VBMHWEBPFUSFFS-UINMYDDESA-N 501.612 4.848 10 40 KJCB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 97957731 DROJTSIABUKDOY-YNMQQHPQSA-N 541.673 4.603 10 40 KJCB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(OCC(=O)O)c(I)c3)C2=O)cc1Cl 97960592 INKSCZVIKXNBFB-QCDXTXTGSA-N 619.593 4.986 10 40 KJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(I)c(O)c(I)c3)C2=O)cc1 97960595 WSTPZUJMIGJLDS-QPEQYQDCSA-N 588.139 4.671 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 100863375 PNHDGDUGXVFEFG-MOHJPFBDSA-N 547.750 4.717 10 40 KJCB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408535904 OZKRMZREDAQGDS-AQTBWJFISA-N 523.314 4.782 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1 408899598 PKPNLYPRIIKKPG-XDHOZWIPSA-N 510.333 4.677 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c(C)c1 408994604 ZWWKYROVYMJGMH-DEDYPNTBSA-N 546.630 4.774 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccccc1 409040150 FRHMIMLZVNWXJP-YBFXNURJSA-N 554.784 4.786 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 409062987 DYPHINALSZUXQZ-HDFSHUSISA-N 555.700 4.913 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409074206 PJXXJMWFIQXUQH-VXLYETTFSA-N 606.396 4.734 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)c(C)c1 409268007 XSCXSZADWRAMSK-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1 9348539 JGVJFAYOVOHMNU-GIOCZXGYSA-N 522.627 4.979 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 100241305 FLSXAJBLDMVDOX-BKUYFWCQSA-N 598.393 4.944 10 40 KJCB COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 108449653 JUXMWPLIALIRTK-IBGZPJMESA-N 539.540 4.533 10 40 KJCB biogenic CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 225660768 GVBQSHBXTKQYQG-OAHLLOKOSA-N 505.990 4.676 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408807848 OZVGTRYTMODPIO-RGVLZGJSSA-N 521.913 4.811 10 40 KJCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408860129 YEWDBKZXFKMMPY-IWBRXTOPSA-N 522.605 4.703 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408947937 DTPMMQHWJULOOE-VXLYETTFSA-N 539.313 4.562 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1 409256093 JRGYZPISOLOUOU-JAIQZWGSSA-N 548.939 4.549 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1 409363850 OCVNHMNFSUOQSQ-NDENLUEZSA-N 572.774 4.926 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)NC2=S)cc1 409383501 ZCCNNJGTAPPXHF-HYARGMPZSA-N 517.563 4.576 10 40 KJCB COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(Cc2ccccc2)CCCN(C(C)=O)c2cc(F)c(F)cc2C1 643554592 VWNWJLMTMLYHKF-UHFFFAOYSA-N 592.687 4.711 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)ccc1NS(C)(=O)=O 225427977 FMSQIMRLOUZEAR-SVBPBHIXSA-N 591.715 4.745 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260772608 VEXLHOAYTFBCBK-VXKWHMMOSA-N 513.704 4.526 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)C2=O)cc1OC 409256150 ODENOKJLRNRNKO-JLPGSUDCSA-N 557.603 4.785 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409262240 FYKWTQZNHCLUMT-ZDLGFXPLSA-N 521.458 4.923 10 40 KJCB CCOc1c(I)cc(I)cc1/C=C1\SC(=S)N(CC)C1=O 409339086 DVSFBOUNLLGDLK-WDZFZDKYSA-N 545.205 4.516 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 8431790 YMISMCWMCYCCEI-HKBOAZHASA-N 536.765 4.798 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cccc(C)c4C)c3)CC2)cc1 14154303 IXLUIWJCOOCQKW-UHFFFAOYSA-N 514.047 4.729 10 40 KJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)cc1 17373739 BRCCAWYAXJCOIC-GZTJUZNOSA-N 508.406 4.830 10 40 KJCB O=C1/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 97947082 VNBABIDIYFSUOV-LYBHJNIJSA-N 545.734 4.551 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 102673111 YMISMCWMCYCCEI-PWRODBHTSA-N 536.765 4.798 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 225430774 SRZDOGXOVNRLOG-WUFINQPMSA-N 622.729 4.963 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408743118 ZJQJZCVHSUKMOV-YBEGLDIGSA-N 515.703 4.727 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc(C)c1 408797090 FWZYASRHRPYMQQ-KEBDBYFISA-N 566.364 4.920 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 408819603 ZODJLQIAGFEYMB-HYARGMPZSA-N 549.923 4.670 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408893793 HRBQBHBFKPXVPR-JJIBRWJFSA-N 512.543 4.582 10 40 KJCB COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)N(c2ccccc2)C1=O 409021141 YGUMPHPJAINDPO-XQNSMLJCSA-N 522.399 4.882 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1 409031341 ARXHIUANTRBHQG-HRIDGTDGSA-N 599.709 4.691 10 40 KJCB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025096 MKSAQSQCZKNASP-MUUNZHRXSA-N 515.610 4.766 10 40 KJCB C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)C1 26503276 PFJKPLWOIZKRDV-MGIMQLBCSA-N 504.681 4.621 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100320331 NIFINMNJYFLFKY-UDWIEESQSA-N 585.432 4.509 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414211 SBJMOADHEGSXKL-VABKMULXSA-N 564.377 4.865 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225412451 OFPUWHRBKBTJDV-IZZNHLLZSA-N 533.679 4.738 10 40 KJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 260924160 RWPWWBMZYSPQQL-LOSJGSFVSA-N 512.123 4.671 10 40 KJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553324 NWELTCAATYQHTE-REZTVBANSA-N 573.252 4.888 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408770504 YIDPDBHIBTZIDF-DQARITGZSA-N 636.568 4.986 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408814591 VUIWMKVOBNWDAM-YBFXNURJSA-N 507.886 4.502 10 40 KJCB CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(OCC)ccc4OCC)C3=O)c2C)cc1 408849944 BJMGWMPIMOCLFK-LFVJCYFKSA-N 517.582 4.957 10 40 KJCB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 409043627 SIMNINHZKYJINN-XNTDXEJSSA-N 508.166 4.667 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1 409052878 BDILGBMAJCMAFP-PXLXIMEGSA-N 564.392 4.532 10 40 KJCB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4)c(=O)n32)cc1 409061036 BNZBRUSTJMYVMV-KDSDTBODSA-N 533.719 4.509 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409227717 VQFXFPVDPFRSBB-KEBDBYFISA-N 554.386 4.994 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)c1C 409265908 UYXRSEHWXSXGDC-STZFKDTASA-N 517.969 4.949 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409268766 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CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(I)c1O 100080777 FRWGGRGONFCDFC-MLPAPPSSSA-N 526.714 4.553 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O 225484843 CPZGHOKTYUQTHE-FTJBHMTQSA-N 562.721 4.750 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1 225518971 UKYWHQVMSWYOOU-NSOVKSMOSA-N 539.661 4.887 10 40 KJCB CC(=O)[C@H](N=Nc1ccccc1OCCOc1ccccc1N=N[C@@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 255995512 PUNNQKXGKNOLTB-ACHIHNKUSA-N 732.714 4.844 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408755374 NDMGKIDKVOECTB-LLXISZFLSA-N 627.763 4.808 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1Cl 408934100 CLGZQYCUDHRLGQ-DEDYPNTBSA-N 521.913 4.892 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1O 409031798 BGGWVVXCWIQSSO-FPYGCLRLSA-N 524.183 4.507 10 40 KJCB 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4.701 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409091492 QVVCCDHAKLWYEK-CXUHLZMHSA-N 630.307 4.575 10 40 KJCB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1 409201070 UWLRRXLYNYLSMX-GRSHGNNSSA-N 581.832 4.522 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c(C)c1 409258280 SQAZWRARHWSOJQ-JAIQZWGSSA-N 548.939 4.549 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)cc1C 409361222 BCWZMWPTECSOEU-MTJSOVHGSA-N 521.932 4.780 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1OCC 409379018 UEQVOPZHRIKHFS-JJIBRWJFSA-N 573.602 4.567 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 8820088 QYKLMOGDODYVDJ-BKUYFWCQSA-N 512.609 4.602 10 40 KJCB C[C@@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131399 ISJVOEOJQLKSJU-USBWHEMKSA-N 721.646 4.548 10 40 KJCB in-vitro CCN(CC)c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223726434 ZNOPAGSISLURDF-UHFFFAOYSA-N 539.698 4.679 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cccc(OC)c3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C 409021361 DCVBSHDXPMKHDY-OBDCIHEFSA-N 613.736 4.698 10 40 KJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 409186082 WIJDHFALVXYHAR-LPYMAVHISA-N 547.416 4.942 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 409253415 ULDKSXZIHXVLPZ-XSFVSMFZSA-N 507.999 4.756 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 409271808 NHNNIPLVUDVYAR-XKZIYDEJSA-N 606.429 4.536 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 27549806 LQKBMQLNNAOFRN-BPYHLWOZSA-N 518.517 4.951 10 40 KJCB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1 29491290 YMSFVXBMVHFFBX-OFWBYEQRSA-N 568.637 4.989 10 40 KJCB 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503.079 4.810 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 100361850 UUAMVPWIYCVRRT-FMCGGJTJSA-N 520.588 4.847 10 40 KJCB CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 408538875 QWNWYPVDAKFKJP-WQRHYEAKSA-N 501.923 4.882 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408806411 MZQOETHAIVMMAX-HYARGMPZSA-N 506.942 4.993 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1 408815671 SYJLJDXXTUTFDQ-FYJGNVAPSA-N 534.952 4.771 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408841477 KSGPWWHKMVFGER-MFCBUNOESA-N 650.551 4.675 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 408915488 WEWDRFNUUJXRPS-AWNIVKPZSA-N 591.254 4.832 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)C(C(=O)OC)=C2C)cc1 409018830 VTRYUOMWEDHXKU-UYRXBGFRSA-N 500.345 4.512 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409070852 PCPZVXVUSYIXFO-LICLKQGHSA-N 541.343 4.946 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1F 409080755 MOQVCESFUWBCKE-WQRHYEAKSA-N 525.330 4.842 10 40 KJCB NC(=O)COc1c(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br 409225710 OEAXDTRMUDBHOS-UHFFFAOYSA-N 599.235 4.659 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 409246195 GGDJRYNUDRFJFI-BKUYFWCQSA-N 577.522 4.718 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409254691 FCNRZGJMGFTTAZ-MFOYZWKCSA-N 629.807 4.703 10 40 KJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c(C)c1 409258038 SVEQJRLVKKINHE-GRSHGNNSSA-N 554.386 5.000 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409347579 MFGSWLUQNAOUJW-RQZCQDPDSA-N 526.405 4.945 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2672000 IODPSUHSALLOQR-HMAPJEAMSA-N 504.681 4.949 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 13943022 NYAXKKAXFZCHPL-RCCKNPSSSA-N 517.494 4.876 10 40 KJCB Cc1ccc(OCCOCCOc2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 41076290 LQZIOFNNYKKBCO-LUIHIUCZSA-N 518.517 4.651 10 40 KJCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 103859933 FGDCCXMZYLJODO-GZTJUZNOSA-N 563.145 4.980 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408759363 CTTVMPNIHLHCGL-KUSDHMTMSA-N 613.736 4.505 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 408783003 JESNYDKFJLILMM-CIAFOILYSA-N 537.391 4.558 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 408886770 IXBXCCOHRFMULT-KGENOOAVSA-N 534.952 4.771 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408982268 JIOKIXRUFMIDOY-GKTKDVHMSA-N 592.117 4.876 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409056718 HWYJOZVHYXGGFF-JGDSNHNJSA-N 534.685 4.864 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1 409071753 PJTBXBWIOFRDJI-MKWGYRPRSA-N 536.097 4.749 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409080478 DQCBJSIUHWCLAY-WOJGMQOQSA-N 538.856 4.624 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1Cl 409267431 VOPJOVGEDDZHJX-LDADJPATSA-N 572.774 4.926 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 409365205 TWDCOZOVILODRX-CIAFOILYSA-N 551.958 4.870 10 40 KJCB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccccc4)C3=O)CC2)cc1 97946194 BLIIUGYYSUIQNZ-XHPQRKPJSA-N 583.739 4.740 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 100159853 GAKNSHXKUDPMAL-BKUYFWCQSA-N 549.377 4.955 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 100542070 VDTDCNPFABPXQH-ACRUOGEOSA-N 554.755 4.937 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377533 ZCAOWPABQIQEQJ-PCLIKHOPSA-N 570.509 4.785 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223503737 JRVIEHSEFMQQKS-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC 225308703 RMFYXTWEWCFLGF-WDYNHAJCSA-N 557.676 4.960 10 40 KJCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)Nc4ccccc4Br)cc3)C2=O)c(C)c1 408530016 KSZHXFVUPCKWQN-XSFVSMFZSA-N 583.464 4.754 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 408899434 PFRNGOLSPGNQGD-CIAFOILYSA-N 578.419 4.758 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408899564 QJVILCKFCFOYBJ-QGOAFFKASA-N 531.373 4.736 10 40 KJCB CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 409175212 XTJQVPOKFSFWNY-ATVHPVEESA-N 554.431 4.635 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409266370 QZWOMDVUGLRYPE-JMIUGGIZSA-N 578.965 4.558 10 40 KJCB COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1 409375526 MBTUUMHOSUTARE-RGVLZGJSSA-N 659.287 4.913 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 409407127 KYZFKPZGASIHFS-NDENLUEZSA-N 558.347 4.869 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1 103813483 WNRHLZFNEWXYBY-YSMPRRRNSA-N 556.619 4.566 10 40 KJCB CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4nnc(CC(C)C)s4)C3=O)SC2=S)s1 150426301 DNMBEHHZIOJEBM-FMQUCBEESA-N 712.996 4.856 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408781267 BSOBNFMQQYPUQC-RGVLZGJSSA-N 566.364 4.920 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Br)c1OC(C)C 408835325 XFUJGAGIFWESPC-VGOFMYFVSA-N 567.820 4.972 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccccc1N1CCOCC1 409206906 RCNOSRKVNDUJDU-OEAKJJBVSA-N 568.007 4.810 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)NCc1ccccc1 409253592 ZYLPGYDOYWMSCY-WGARJPEWSA-N 562.669 4.911 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409266645 QQVJBCUXQJGWBK-WQRHYEAKSA-N 570.385 4.782 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409271793 NEPWRIIYOYDYQS-WQRHYEAKSA-N 539.006 4.571 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1C 409273082 VFVQDWAOYJYKQS-JAIQZWGSSA-N 548.939 4.549 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl 409373939 IVZHCSJSEDTYRF-WOJGMQOQSA-N 515.747 4.937 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C(=O)OCC)cc4)C3=O)SC2=S)cc1 101016973 AKDDOKWQFXHCRR-ISLYRVAYSA-N 558.684 4.681 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2320340 JIYAHHZAXHAOBH-QNGOZBTKSA-N 540.114 4.593 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 105500727 WYAVEHOERNGGRM-GTWFGUSFSA-N 623.516 4.810 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1NS(C)(=O)=O 225481908 YNYKOFKPTKUBHW-SVBPBHIXSA-N 591.715 4.745 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 408549978 AGAUVSGMAFWMQR-UNOMPAQXSA-N 526.401 4.842 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc2ccccc12 408948819 HAKIPHJKFWVOCJ-YDZHTSKRSA-N 522.513 4.823 10 40 KJCB O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S)c1ccccc1 409179103 KASORRZPKHGFPR-UDWIEESQSA-N 522.520 4.842 10 40 KJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409195073 REQRPXNAKSFUHE-FYJGNVAPSA-N 515.978 4.873 10 40 KJCB Cc1cc(C)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1CNC(=O)c1ccccc1 97950093 LMNSTFYYSDVEOA-UHFFFAOYSA-N 569.639 4.890 10 40 KJCB in-vitro COC(=O)C[C@@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971943 FXDPZDFSZPIVGS-FQEVSTJZSA-N 571.538 4.657 10 40 KJCB biogenic COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c3cc(C)ccc32)S1 98044819 FIEWIEJPFDPFBY-OAHLLOKOSA-N 622.746 4.881 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N2CCOCC2)cc1 223485155 GYNQXGOVJBGXRD-FQLXRVMXSA-N 524.694 4.893 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 409014266 WUUXHOIMIPTGBH-PXLXIMEGSA-N 582.440 4.757 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 409078939 FADZFHIWNABNOY-CRCYZHLCSA-N 651.539 4.885 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C 409232623 RUVHDMPTLIWGBJ-WSDLNYQXSA-N 507.543 4.695 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1 409374475 QPRKIVSJOJQGPD-YBFXNURJSA-N 572.355 4.524 10 40 KJCB O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)c1 33353941 BDGKRRGVOMGZHW-WCIBSUBMSA-N 534.082 4.964 10 40 KJCB COC(=O)C[C@H](c1ccc(-c2ccccc2C(=O)O)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108448255 LTAQIXPFPPJWNL-MRXNPFEDSA-N 574.494 4.641 10 40 KJCB biogenic CC(C)Cn1c(=O)c([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21 108448480 AKRKOIWBWHEZPX-KRWDZBQOSA-N 555.539 4.694 10 40 KJCB biogenic COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC 225308667 RMFYXTWEWCFLGF-VMPREFPWSA-N 557.676 4.960 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260772599 VEXLHOAYTFBCBK-FCHUYYIVSA-N 513.704 4.526 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408835131 MNKVVUZGMNZGPR-PYCBVSLESA-N 613.736 4.780 10 40 KJCB 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CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1 409252978 UONBPITVECQAMJ-HZHRSRAPSA-N 501.608 4.719 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409267799 PBYXCLHGYXIUMW-LPYMAVHISA-N 669.472 4.999 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409347382 PPCSSFDJPMCJEJ-RQZCQDPDSA-N 508.961 4.605 10 40 KJCB CCOc1ccc(NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)C(=O)Nc2ccc(OCC)cc2)cc1 16035641 GDGKGVKLAQAOIV-UHFFFAOYSA-N 515.610 4.981 10 40 KJCB Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c3ccccc32)c1 97957711 COJUQNRKNIBAQQ-WCWDXBQESA-N 537.663 4.505 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 223604075 OVDBPSHZRMZLMQ-LJQANCHMSA-N 512.503 4.698 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 408836808 VUMIJBNVFORYLQ-XQNWCSQWSA-N 525.674 4.823 10 40 KJCB CCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC 408898319 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COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c(OC)cc1Cl 408836775 VJRPELKZGPPYES-YBFXNURJSA-N 510.905 4.742 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1Cl 408850125 GIDXGKSEXZIIKP-CAOOACKPSA-N 632.794 4.927 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408897694 SOZLPTYTYKFOKI-VXLYETTFSA-N 605.850 4.854 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 408898022 KOIRIFRBQFYIQE-NTUHNPAUSA-N 667.035 4.723 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042792 XTJVCUGSUXQHDP-XKNCUGLGSA-N 664.180 4.810 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409071228 GBDPYVFAMUAACD-XDHOZWIPSA-N 561.399 4.826 10 40 KJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1OCC(=O)N1CCOCC1 409094818 GJHSOQLTTDHKPC-KOEQRZSOSA-N 607.685 4.730 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1C 409273492 YNKYBORIIYFJCH-YDZHTSKRSA-N 517.969 4.949 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8440639 CJAQFRVBGXWMKU-XQNWCSQWSA-N 575.134 4.925 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8443474 SGXOPLITQPSEHR-LXYLXTGBSA-N 620.525 4.697 10 40 KJCB Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 8678249 MVFGHMKKDQXDPT-MUUNZHRXSA-N 501.627 4.867 10 40 KJCB CCN1C(=O)/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778054 GWSMXFQLSRCDCK-BRPDVVIDSA-N 587.698 4.657 10 40 KJCB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1 13669914 JPALHMTVUCKXSZ-UHFFFAOYSA-N 521.683 4.896 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)cc1 101005873 ZAXQJYUVIVXEDN-PDGQHHTCSA-N 566.442 4.698 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]32)cc1 102669333 WHSJPZOOLKZZRC-ZRBLBEILSA-N 519.475 4.963 10 40 KJCB COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23SC(=S)N(Cc2ccco2)C3=O)cc1OC 103019373 QVJRDTBWOVHLRN-PIVNMMCNSA-N 570.092 4.626 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc(C)c1 408798983 JNZBLURHOKCOAT-RGVLZGJSSA-N 537.366 4.717 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1 408815499 WXIINDMALSYVBU-OEAKJJBVSA-N 506.942 4.993 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408876015 IQFBYYPYXHSLTI-YZSQISJMSA-N 557.603 4.509 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408896393 QVMHGDFCGRACSR-BUVRLJJBSA-N 500.551 4.956 10 40 KJCB CC[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1OC 409021091 XTFWRHMGMHIHJE-UEIJICEPSA-N 531.403 4.660 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409039278 CEMSKTTVSCIKHY-WSDLNYQXSA-N 547.995 4.958 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1 409081441 PDDZCMZEBHHPSE-OGMUYLFESA-N 618.715 4.988 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)C1=O 409254596 XVFXSGZHOFJGBC-AQTBWJFISA-N 524.360 4.986 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 409400173 PVMHLNKBXUMBIP-NVMNQCDNSA-N 514.321 4.951 10 40 KJCB CN(C)c1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496355 HWQPHVMDGYNOSR-MHZLTWQESA-N 524.698 4.503 10 40 KJCB COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 100084027 GAKMADAUFBBJAW-PVHODMMVSA-N 539.592 4.829 10 40 KJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 102466465 OOADMWIATNTRMK-WOJGMQOQSA-N 520.489 4.751 10 40 KJCB O=C(N[C@@H](Oc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 104194082 BRVBELKIZKMXMZ-JUJMOSGRSA-N 605.974 4.580 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C(=O)O)cc1 225397165 JSKNTRZPJZAXDA-IZZNHLLZSA-N 561.689 4.736 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039234 QYMNGDQHVDNHPR-KFOJKGMOSA-N 643.762 4.927 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409046321 JZMOVECUIYGUIC-CIAFOILYSA-N 551.958 4.870 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409071249 QDDLFZZEBAVOPF-GIJQJNRQSA-N 527.316 4.643 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409372290 KLRXJIOVVZNZIK-CHHVJCJISA-N 529.383 4.944 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 2997150 HGVIEHZLXAKRFM-NLTKXKDSSA-N 555.700 4.806 10 40 KJCB COc1cccc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 8918583 LZWPPLXYTQMXFG-PVHODMMVSA-N 507.542 4.643 10 40 KJCB biogenic Oc1c(CN2CCN(c3ccccc3)CC2)cc(Br)cc1CN1CCN(c2ccccc2)CC1 96191565 CSBNVQWANMPBJZ-UHFFFAOYSA-N 521.503 4.799 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc(Br)c1O 97962627 PEADJGCRJIHLFC-AWNIVKPZSA-N 526.206 4.988 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 100087004 ULSYORSFOKWVSG-PQRKSKNISA-N 554.716 4.580 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 103853316 ZRIKOKGBQNHTAG-LDADJPATSA-N 556.369 4.907 10 40 KJCB Cc1cc(/N=N\c2cc(S(=O)(=O)O)c(N)cc2N)ccc1/N=N\c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 150367617 BUWNKUMEJMTSRK-YEVPLTQVSA-N 620.647 4.884 10 40 KJCB CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(I)cc3)c(I)c2)C(=O)N(C)C1=S 164431058 YVJUQKPQBHQIJF-UHFFFAOYSA-N 744.130 4.678 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225370058 UFLAWZAKIVKZDL-DHIUTWEWSA-N 527.731 4.916 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225518677 SGNCZEVYYNEDNJ-NSOVKSMOSA-N 539.661 4.887 10 40 KJCB COc1cc(OC)cc(-c2nnc(S/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O)o2)c1 408632120 HMRHRGGMHNVHCF-SRZZPIQSSA-N 512.544 4.870 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)c1 408772908 NYACKDSCIZCFMD-WSDLNYQXSA-N 539.373 4.982 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 408817052 VPBRDTMAMZHPLI-GXDHUFHOSA-N 507.768 4.956 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408825333 ABSOUONEAKOOEW-ALUWMOPFSA-N 680.577 4.684 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1O 408884575 XPQJASCCFCDIML-UDWIEESQSA-N 584.366 4.641 10 40 KJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1Br 408898981 NPGBXXCKLZTHET-GDNBJRDFSA-N 522.193 4.975 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 409009408 FKGJYPJSZKFGGJ-OEAKJJBVSA-N 526.998 4.597 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409029906 BXOMWAJASLUKJA-ITNPZBTBSA-N 630.723 4.910 10 40 KJCB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCC5)cc4C)c(=O)n32)cc1 409060162 ZDZANJUZAVRXFQ-DBXPASCUSA-N 547.746 4.817 10 40 KJCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1 409213026 TYPBWTFKKAYBKZ-MTJSOVHGSA-N 511.351 4.527 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409228090 ZWYOYJYRMUXFFV-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409348388 SLKFGGPFZZTAFE-UDWIEESQSA-N 527.605 4.790 10 40 KJCB O=C1/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 97947392 MNGHZGJAVOBTFV-UWCCDQBKSA-N 544.452 4.630 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 409050113 YYDHDPDSBFOJOO-AWNIVKPZSA-N 528.584 4.848 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409253780 GTTZUNRPTSMRTJ-XBPUZACXSA-N 512.653 4.710 10 40 KJCB COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1cc(O)c(O)c(CC=C(C)C)c1 31162770 LARSXHUKWMVHRB-SSEXGKCCSA-N 522.594 4.890 10 40 KJCB biogenic,in-vitro COc1c(I)cc(I)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 100164447 DXFWGONJUKBKFR-DHDCSXOGSA-N 544.130 4.711 10 40 KJCB Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1 100762288 SHJSEFSCVZXZRF-STZFKDTASA-N 540.114 4.593 10 40 KJCB COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 101124688 WOQBTGNPGHFBFI-GJFBBOBCSA-N 517.954 4.630 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c3cc(C)c(C)cc32)S1 102785646 PPXZRVSXUFSTDP-CALCHBBNSA-N 628.794 4.680 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccccc1F 408952606 OLQWGYTYFCCAGY-GIJQJNRQSA-N 630.366 4.803 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)ccc1I 409016841 KAZFWIZNKJPZPE-JAIQZWGSSA-N 559.404 4.978 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 409074937 OOEMSCURIUKGMC-LICLKQGHSA-N 624.238 4.785 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409229862 VOFBWUNQTSXFPD-APSNUPSMSA-N 574.849 4.768 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1Cl 409247053 AXUNIYXTPGEIMY-MTJSOVHGSA-N 524.360 4.986 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 409268624 WTJSVOZKKYUQGI-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3I)c(OC)c2)SC1=S 6470501 CGLVGJUXEMJESY-GZTJUZNOSA-N 525.389 4.740 10 40 KJCB Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 100762022 PRFSHCGPZHDTKI-ITYLOYPMSA-N 567.740 4.727 10 40 KJCB CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 254016419 JIJQRBWJNKPMEO-NJJKTQONSA-N 809.954 4.502 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 408813797 OWPLXVMGGJMBCL-CIAFOILYSA-N 624.400 4.788 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OC(C)C 408901133 WDFHKYXNIIBSRA-CXUHLZMHSA-N 507.768 4.955 10 40 KJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 408942491 QWHSJBMHDVPXFA-KGENOOAVSA-N 539.407 4.967 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F 408943843 SJZLEWMNIXQZLN-VCHYOVAHSA-N 617.327 4.593 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409074504 MHLSXPBZPMBSNZ-DEDYPNTBSA-N 605.850 4.935 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409265497 SXEDNRMDPVVQLQ-FVHJOOJJSA-N 512.653 4.791 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 409377230 GVYFYLGPNYAHJQ-NDENLUEZSA-N 584.810 4.795 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccccc1F 409399429 INOCFSIIIQDKJM-WJDWOHSUSA-N 619.241 4.838 10 40 KJCB CCN1C(=O)/C(=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2958753 CQSDXKNEWMHQIP-BOPFTXTBSA-N 528.471 4.755 10 40 KJCB CC(C)OC(=O)[C@H](C(=O)C(F)(F)F)c1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 8974134 NMVYLYFHYOYPMB-KRWDZBQOSA-N 501.504 4.574 10 40 KJCB C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O 82186463 MFTJRTUKCOVIMD-MBWDVDNASA-N 688.818 4.678 10 40 KJCB in-vitro O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 102673109 YMISMCWMCYCCEI-NJDAHSKKSA-N 536.765 4.798 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 103849695 ALEANJLJLDPDAH-UDWIEESQSA-N 556.331 4.984 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(O)cc1 225396301 SJTLKMHSGIKUFN-IZZNHLLZSA-N 533.679 4.743 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 408990455 WAAZXUYZLVIQOD-KMBIYUNPSA-N 532.065 4.859 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c2=O)=N1 409017259 YCVKATOGSDVBKY-SELCLYCASA-N 641.746 4.810 10 40 KJCB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(N(C)C)cc5)c4C)c(=O)n32)cc1 409024391 RWTORKQWHAXRST-JLHDDXNDSA-N 584.742 4.669 10 40 KJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1Br 409368370 ZYCPBTBGJNLHKG-IUXPMGMMSA-N 512.788 4.983 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 409386388 MYRWUGJRPKJSBL-CIAFOILYSA-N 554.386 4.994 10 40 KJCB Cc1ccc(CNc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 16734677 DSDHWWKYAQAIQC-MTJSOVHGSA-N 502.621 4.918 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408777335 YTYYTJGMWLMMAF-RGVLZGJSSA-N 613.364 4.762 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 409017243 FJIBXWUHNXRMNK-BUVRLJJBSA-N 541.025 4.987 10 40 KJCB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O)C(=O)O 409192979 HRVHTEIKXCVBFF-NYFSIGSOSA-N 514.578 4.673 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 984988 YMISMCWMCYCCEI-PCCBWWKXSA-N 536.765 4.798 10 40 KJCB CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)sc2c1CCCC2 1787934 HDCWHKBRADBAKX-PDGQHHTCSA-N 516.666 4.652 10 40 KJCB O=C(O)[C@H](Cc1ccccc1)NCc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc12 2121387 WJBDIXJWKOWZDD-IBGZPJMESA-N 541.478 4.741 10 40 KJCB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18181187 ZYJNHRKOXUVWMK-BHIFYINESA-N 506.341 4.997 10 40 KJCB COc1ccc(OCCOc2c(I)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2OC)cc1 97964312 MVKLNUGDLYZHBZ-SWYFNLGCSA-N 646.385 4.948 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414178 BADACNGLHQXBIU-BHIFYINESA-N 506.341 4.997 10 40 KJCB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 100504887 AIUUGXCEBWNBDU-YBEGLDIGSA-N 533.132 4.841 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC 225300692 PHPVMRDIKFSZIS-NSOVKSMOSA-N 556.692 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408775680 REWWAGLNKBBDNT-VXLYETTFSA-N 541.343 4.946 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(I)c3)C2=O)cc1 408778788 KSKAUWCZAVKSMD-XDHOZWIPSA-N 556.331 4.984 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccccc1F 408889200 ASCCXAGXDJLVLS-YBFXNURJSA-N 602.356 4.780 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 409063804 DUDWMHGELBLZJI-WOJGMQOQSA-N 591.823 4.545 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409228249 WLEQNUAJPBEIOH-VXLYETTFSA-N 544.511 4.861 10 40 KJCB COc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 1322005 VAYVSDQVZXTHHU-QRVIBDJDSA-N 503.486 4.878 10 40 KJCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 13739108 AWOHXJAXTOIZGJ-BHIFYINESA-N 505.448 4.709 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)ccc1Br 408758873 SYWNAQNIOOFPPL-DEDYPNTBSA-N 536.338 4.911 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408800024 MXAHOABCMQFICE-XDHOZWIPSA-N 522.311 4.603 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 409060132 TWYJIYINEAAYQX-PVPFEYIBSA-N 565.695 4.544 10 40 KJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C 409073376 YJFGRCJTJREHAL-YBFXNURJSA-N 507.999 4.894 10 40 KJCB O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 409192860 GETFJSNTWPIGKV-XNTDXEJSSA-N 531.771 4.892 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409226671 QTZZAHXAKWBFME-VXLYETTFSA-N 585.356 4.594 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)OC 409328956 BAYDFWUPTRRZOT-MFOYZWKCSA-N 600.412 4.556 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409347365 PPESVXLSFXJPTM-MSXFZWOLSA-N 550.614 4.856 10 40 KJCB COc1cccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025033 HHUYCDPBYYWJRX-MUUNZHRXSA-N 517.626 4.567 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc12 223137346 YBOHEXNJIYLRHY-WDYNHAJCSA-N 511.695 4.947 10 40 KJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223146628 ITVDJCOJTDYNBB-FTJBHMTQSA-N 510.107 4.756 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)c3ccc(Cl)cc3)C2=O)cc1 408537725 WUKJSJHMMFMLIX-MOSHPQCFSA-N 555.768 4.997 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408692025 BQNLWJGZDUVGKL-YBFXNURJSA-N 513.934 4.630 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408770676 AESWLSWILOGAJH-ONUIUJJFSA-N 531.008 4.955 10 40 KJCB COc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1O 408811110 LVBSVJOJFPIHGU-UHFFFAOYSA-N 509.381 4.912 10 40 KJCB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n21 408951714 NIGUQWOVMAVQPU-IZBTWGKQSA-N 649.405 4.786 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 409046475 KVEGUWQRCFNDOE-UXBLZVDNSA-N 514.557 4.540 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409176781 XOALKMBWCCGLLE-CIAFOILYSA-N 552.546 4.850 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC(C)C 409250693 NMTXRZUQKKKKCQ-MHWRWJLKSA-N 550.418 4.617 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409254864 JHPQKMAYJMSCOH-UWVJOHFNSA-N 690.834 4.854 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(F)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 8425740 NDKOWKXNCQBBAV-HKBOAZHASA-N 510.304 4.828 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 101142690 OFJOQMMYCMPPEC-BHDDXSALSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 101314656 NVHZHTVBCPXKFJ-ZFLZBDSRSA-N 527.606 4.914 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 105704568 ALHGPBIUMIJGAX-ASZNLBCTSA-N 547.721 4.777 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 408785051 FPHHFWHSXUOYDK-RGVLZGJSSA-N 523.343 4.740 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408853511 UVIGHYHIYAOQFS-LPYMAVHISA-N 598.837 4.828 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cc(OC)ccc1OC 408987257 FKBRMYJWFIJGFX-OEAKJJBVSA-N 532.618 4.821 10 40 KJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409089925 NPVMOCJUFZZHNO-WJDWOHSUSA-N 508.830 4.615 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409256552 PGTXOGYBHZZGFU-MFOYZWKCSA-N 521.458 4.889 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)c1 409257345 OENTZCQNKPWNMP-LPYMAVHISA-N 517.969 4.949 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2F)c(C)n1-c1ccccc1 3295642 ZVWNYVCCDXHEFH-MHZLTWQESA-N 546.620 4.775 10 40 KJCB O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1 6352986 LTOKZGQVCWEIST-ZHZULCJRSA-N 512.590 4.764 10 40 KJCB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c(OC)c1 13025125 CPYXQOZDSOJCLY-MUUNZHRXSA-N 533.625 4.580 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)c(OC)cc1Cl 408836574 SQRISHLTTXZFAZ-UDWIEESQSA-N 506.942 4.911 10 40 KJCB O=C1C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408842654 AGWOIRGNMHRMOC-UHFFFAOYSA-N 538.423 4.627 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Cc1ccccc1F 408870263 UEJUBZMNXIFQQT-DJKKODMXSA-N 554.328 4.762 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1O[C@@H](C)CC 408901626 ZGPJJKUGEGOGRJ-LZNAANCOSA-N 501.377 5.000 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1Cl 409063264 JQLDCAIUFDXEHU-QARYAGPDSA-N 577.062 4.767 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 409086583 FLARZLXWTZMNNO-UHFFFAOYSA-N 592.943 4.651 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 409099046 PSHNTAGSRHRQBL-NNAGEYCMSA-N 572.706 4.659 10 40 KJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O 409234985 AEHTWLAKTXIUSX-RGVLZGJSSA-N 541.377 4.536 10 40 KJCB COc1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(=O)c3ccc(C)cc3)CCCC4)CC2)cc1 1362112 YYJLDWVTSPPTQD-UHFFFAOYSA-N 503.668 4.936 10 40 KJCB O=C(NCc1ccccc1)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 6446220 JWZHYBNHIXTBHO-PGUFJCEWSA-N 611.706 4.907 10 40 KJCB O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 100860229 CMIIZXYBYKOIOW-HKOYGPOVSA-N 557.676 4.562 10 40 KJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 103859011 BBSNYVBBXLVBRN-RGVLZGJSSA-N 522.355 4.530 10 40 KJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)c(/N=N/c3ccc(/C=C\c4nc5ccccc5[nH]4)cc3)c2c1 150342398 XRPGAYSKLWNGNM-DXDYKOAGSA-N 630.638 4.748 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408529958 DLHBESGIQAFEGD-UNOMPAQXSA-N 570.739 4.896 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1Cl 408770689 AOPOAFMTALXAEH-RGVLZGJSSA-N 512.349 4.854 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 408801164 RWFVTQBPSMSKFC-RGVLZGJSSA-N 602.356 4.780 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409059799 XMMCXBNILPYZAR-HSUOJCLFSA-N 552.675 4.922 10 40 KJCB CN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 409144482 LICNRCBUZCDSSV-AUWJEWJLSA-N 506.784 4.501 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Br)c3)C2=O)cc1 409220271 VXJQYFYZDFPPDZ-HYARGMPZSA-N 578.419 4.840 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409342628 DYIRBLFVVCXTBR-YVLHZVERSA-N 600.412 4.556 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OC(C)C 409399530 JIRVQSNBPZAMRU-GDNBJRDFSA-N 524.209 4.859 10 40 KJCB CC(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221089 DUSHXYURWVNOCN-INIZCTEOSA-N 504.491 4.758 10 40 KJCB biogenic Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 225412190 ICMJHBSGGGMSJB-JWQCQUIFSA-N 503.653 4.729 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)C1=O 408538253 ZOVHSBHUEVUVFF-UVTDQMKNSA-N 590.180 4.699 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)C2=O)ccc1Br 408766175 PMKLPNIYOZFUES-UDWIEESQSA-N 536.382 4.838 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Br 409055957 KGEGNJIUMUMCIK-OQLLNIDSSA-N 538.192 4.675 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 409233207 DFYWIBQEAFXGBI-RGVLZGJSSA-N 513.497 4.642 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc(C(=O)O)cc1 409400955 WKPPUZNYXHQZRZ-WQRHYEAKSA-N 557.784 4.850 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1ccccc1 13749248 MRAGEZGQGJTTKM-NHQDZBNKSA-N 513.579 4.606 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408536234 QMJCIHFWIACTLS-ZLCJPBNUSA-N 541.516 4.587 10 40 KJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O 408831679 HDCVMPZOPOIFFD-NTEUORMPSA-N 523.767 4.575 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408839560 ANYAXTYIZBIWEM-VIYYDIFJSA-N 680.577 4.684 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 408901119 VWKRIEWUTXNKNZ-JLPGSUDCSA-N 501.495 4.629 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409023286 WRONQBDDZVJYBP-RGFRMHDHSA-N 575.134 4.925 10 40 KJCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 97963931 LRKQXDNVRQIONV-UUOWRZLLSA-N 550.544 4.750 10 40 KJCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)c1 103933772 SRQBWBQFPLBIRT-ZZXKWVIFSA-N 526.225 4.717 10 40 KJCB O=C1C[C@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108448845 SIAPZMHOVZCKQN-OAHLLOKOSA-N 542.452 4.682 10 40 KJCB biogenic O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408911022 MNKVGSWRRKIDLI-VXLYETTFSA-N 540.301 4.742 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409048372 OGFFDRVEDIVRJB-CIAFOILYSA-N 623.416 4.748 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409250573 RBYHSSQNZFZXTG-WQRHYEAKSA-N 568.458 4.847 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409256383 OPIPJGFFMCZCRH-JAIQZWGSSA-N 578.965 4.558 10 40 KJCB CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OCC)cc1 409262141 CVUQTIUWDWZJOZ-RRFFURKPSA-N 542.679 4.882 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409352781 ZGNWHVFTFQZFGD-WQRHYEAKSA-N 569.442 4.956 10 40 KJCB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C 2648629 CHVMJIQZZQNFPN-RUZDIDTESA-N 528.696 4.537 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1 8820083 ADPRIYGQXCLZCC-HKWRFOASSA-N 512.609 4.572 10 40 KJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 13774172 CWRHDGCZMHANGT-XLNRJJMWSA-N 520.680 4.667 10 40 KJCB COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 80324554 SMKBOLMZQKFVCM-WZOHSFFVSA-N 521.551 4.929 10 40 KJCB O=C1NC(=S)NC(=O)C1=CNc1ccccc1Sc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 100927572 DLXLDLSEWNTQGS-UHFFFAOYSA-N 547.621 4.570 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 223185237 JNSDNJZETFUQBB-CLJLJLNGSA-N 554.558 4.946 10 40 KJCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408528058 AQOUEIRLYZVXEQ-WBDHZMATSA-N 562.332 4.643 10 40 KJCB COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC 408535953 PFIITFVQIJSWEU-UNOMPAQXSA-N 595.402 4.669 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 408810030 IBAQSTQNFMCVEZ-RGVLZGJSSA-N 537.912 4.511 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc(F)c1 408889315 BQVSPJHMGBQOKJ-ODLFYWEKSA-N 588.398 4.849 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408893105 FKDOYEDUOAMLHA-GZTJUZNOSA-N 652.850 4.696 10 40 KJCB CCN1C(=O)/C(=C\c2ccc(OC)c(I)c2)C(=O)N(c2ccc(Cl)cc2)C1=S 409021060 XJNHAYOXOXMIGN-XNTDXEJSSA-N 526.783 4.517 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(Cl)cc2)S1 409083543 KZODROXRKXRPBO-VIZOYTHASA-N 505.788 4.521 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(I)c1OCC 409228983 IBMJLDVSLWIRDM-UKTHLTGXSA-N 556.809 4.573 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)OC 409334321 XCAMGZSGIMZQSV-RQZCQDPDSA-N 508.961 4.605 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409342309 BMUHJEOMEOMPGQ-SSDVNMTOSA-N 587.613 4.994 10 40 KJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C(=O)O)c3)c(OC)c2)SC1=S 409380832 BBCLWSANFYHFMQ-YVLHZVERSA-N 508.415 4.956 10 40 KJCB Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 409399251 HALSTYMSYOZNEB-ODLFYWEKSA-N 585.252 4.999 10 40 KJCB CCCc1ccc(S(=O)(=O)N2CCCN(C(C)=O)c3ccccc3CN(Cc3cccc(F)c3O)CC2)cc1 643566487 SROJPQJUJONCIV-UHFFFAOYSA-N 553.700 4.934 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2076391 NVFJBJBGMBUZOC-LICLKQGHSA-N 558.399 4.629 10 40 KJCB CCC1=NN2C(=N)/C(=C\c3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 97957857 GNHHMNPTVDHMSN-UXMLFEQVSA-N 529.416 4.945 10 40 KJCB CCN1C(=O)/C(=C/C=C2\N(CC)c3cc(S(=O)(=O)N(C)C)ccc3N2c2ccccc2)SC1=S 100475853 WEMJPHUTAPBUOS-BILXGNRESA-N 514.698 4.520 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 100517588 KWYITRHGYBEVOM-FKBYEOEOSA-N 506.341 4.684 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 408802085 CUNNXEMCLOTJEY-GXDHUFHOSA-N 554.768 4.799 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(Cc2ccccc2Br)c1 408872371 LYKMDDMHIHNKHF-FYJGNVAPSA-N 536.338 4.623 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Cc1ccccc1F 408874394 AXIPBMFBWFNXLS-DJKKODMXSA-N 601.328 4.604 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409060512 WXCWXTUOHDEEGO-MYYVYBLQSA-N 545.705 4.577 10 40 KJCB CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8777645 TXTZUYYMFWMEGT-RRAHZORUSA-N 557.672 4.648 10 40 KJCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 9427300 KIBFUFAIRDNYSA-FHSMEVGFSA-N 504.681 4.887 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccccc1C 97964378 QGQKORZQQAXSNY-ZHZULCJRSA-N 585.485 4.914 10 40 KJCB COc1ccc(S(=O)(=O)Nc2cc([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)cc1 100822688 UDAKBIGLIUGSIY-HXUWFJFHSA-N 525.501 4.521 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 225413113 VLULZDQQFZHGFT-SXOMAYOGSA-N 575.716 4.824 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408530994 GDGGKITZKIBMIH-LJDCBMQGSA-N 592.358 4.651 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408734279 WCSYRRFTCKQAMO-ZSJKCPIUSA-N 593.061 4.686 10 40 KJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1I 408904465 JWWQWGOXJNUTDY-NTEUORMPSA-N 571.234 4.592 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408980252 FGHDXVLFHBWOKE-IPAKXIGBSA-N 569.683 4.551 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 409228709 CXYOOLOZOBADAX-CIAFOILYSA-N 507.999 4.674 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)Nc1ccccc1Cl 409260519 RLAWLZWDOLYIRS-CPNJWEJPSA-N 554.784 4.786 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 409340391 WIIPBAVHOOSGFE-WOJGMQOQSA-N 522.442 4.801 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 3367413 CPHDVTJAHUOMAZ-UHFFFAOYSA-N 534.556 4.937 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCCCOC(C)C)nc12 9460959 NVVVMRWNFAAQEG-QNGOZBTKSA-N 508.669 4.631 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940777 WYBFQTFVLZNTPC-NDEPHWFRSA-N 527.673 4.557 10 40 KJCB CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 103579215 LUSQKAALKDDJQY-XVCGDLFISA-N 502.644 4.678 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 164332235 BYJHWRUYFPNOND-FZSIALSZSA-N 738.228 4.599 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408536319 QVCCGSCQACLAJB-KPLVBVSQSA-N 653.385 4.883 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1 408541733 FPVAWIBRVOWLHS-BUVRLJJBSA-N 523.614 4.924 10 40 KJCB CNc1c(I)cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1I 408742987 QYUIOMCFHFTZGL-NTUHNPAUSA-N 559.141 4.927 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408916346 CEIFDJJNHXSSAC-ODLFYWEKSA-N 556.369 4.907 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 409075570 XBRCPGHTBVPZID-UDWIEESQSA-N 650.422 4.572 10 40 KJCB CC(C)CCNC(=O)[C@H](c1ccc(N(C)C)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1 6076941 DDQCFUXHMIGNKO-VWLOTQADSA-N 550.729 4.564 10 40 KJCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 15012112 BVRGBZNJJWHXHH-GIJQJNRQSA-N 507.431 4.581 10 40 KJCB CC(=O)Nc1ccc(OCCn2c(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 101424493 ILOSYSCUXAUGAB-ONUIUJJFSA-N 540.551 4.793 10 40 KJCB COc1cc([C@@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 102885125 FDWXBXCYVDUYBC-FCEKVYKBSA-N 567.594 4.660 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(I)cc1 103857059 GZIARAQTBWWWSA-UHFFFAOYSA-N 615.287 4.630 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)NC1=S 408740867 ISWRIUFUZXRTCW-VZUCSPMQSA-N 575.076 4.819 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408782145 HYYCWONMTFZLAF-QQXSKIMKSA-N 514.578 4.859 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(I)c1OC(C)C 408821939 APMQNUIBAVDSQA-VGOFMYFVSA-N 614.820 4.814 10 40 KJCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 408822598 CHQDUZMFGYDNBN-OEAKJJBVSA-N 506.942 4.993 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1cccc(F)c1 408877822 XETRITWSWKFMJK-UDWIEESQSA-N 509.331 4.854 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 409123053 DKUUWEWLMGUKLV-XQNSMLJCSA-N 599.061 4.876 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409254050 HKNPQEFBCQOYRX-JMIUGGIZSA-N 623.416 4.667 10 40 KJCB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)NC1=S 659975 MLRFEALJKFLAGV-PXLXIMEGSA-N 501.608 4.583 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1 17779364 CGXVCUKBELAARW-VJBWXMMDSA-N 577.374 4.549 10 40 KJCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 20329707 PHIDMCRJPSCRCP-NLRVBDNBSA-N 514.607 4.962 10 40 KJCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 103859930 JOEZPKGHAGMGLW-MHWRWJLKSA-N 516.691 4.937 10 40 KJCB COC(=O)C[C@@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108449331 MYLJOVZGJJXULP-IBGZPJMESA-N 617.607 4.663 10 40 KJCB biogenic Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 209558645 BVUBFRFZKSMZQL-DEDYPNTBSA-N 525.346 4.674 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408768273 DOXSNLTWLWOIOT-ONUIUJJFSA-N 512.562 4.898 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408875429 FNMCRGDGKYMMSW-MOSHPQCFSA-N 538.379 4.768 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 408897970 JZHMNVBESUTEIC-JCMHNJIXSA-N 599.459 4.980 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408941145 OSLOYVFDWDWJGT-RGVLZGJSSA-N 521.913 4.811 10 40 KJCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408992489 AAYCAPVORVBMFA-UHFFFAOYSA-N 522.399 4.869 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)OC)c(OC)c3)SC2=S)cc1 409347651 QNHPBBUUFAXAIQ-WQRHYEAKSA-N 585.441 4.656 10 40 KJCB CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 102921993 JEIWAHCFJHMULD-RVGLIBJPSA-N 546.927 4.709 10 40 KJCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1 408730271 GQWYRWDNRKZNLI-WOSHRIRTSA-N 597.737 4.951 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 408800379 OQGOMOVNAZFLDV-CIAFOILYSA-N 579.949 4.679 10 40 KJCB CCCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC 408900046 RDKXBCUWRVSIKH-DHDCSXOGSA-N 599.219 4.826 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408980535 FLEIAEIKDVMMAV-NULZLWRNSA-N 571.699 4.531 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1 409044822 DLTOVYSBGHNRAR-DEDYPNTBSA-N 510.333 4.677 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1cccs1 409059396 WZXCXHXQNUQILV-XZVHRBETSA-N 555.725 4.987 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)c1 409258190 WXOLZMKVJDNHIN-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409258536 VIJOPFRBNYCOSV-NDENLUEZSA-N 623.416 4.748 10 40 KJCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 409265830 VYPDQMWITDVSNU-RGEXLXHISA-N 503.942 4.641 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1Cl 409268462 UAGMIWFUILPUSD-SRZZPIQSSA-N 524.360 4.986 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccccc2F)c([N+](=O)[O-])c1 409398720 CDGXRUPABGFACV-YVLHZVERSA-N 512.291 4.537 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@H]3CCCC[C@H]32)cc1 1239018 XZZVBGISYSYAEL-FFHZKXIASA-N 512.697 4.886 10 40 KJCB O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 113624603 MJCQJLOFARZLOA-UHFFFAOYSA-N 568.017 4.707 10 40 KJCB CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(Br)cc3)c(I)c2)C(=O)N(C)C1=S 164430585 GJDRXUDCJWJRFL-UHFFFAOYSA-N 697.130 4.836 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408538268 ZTWPFLXRJNRGPW-XDHOZWIPSA-N 602.768 4.839 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)cc1C 408781208 AYQVXESSVLIGJE-CIAFOILYSA-N 596.377 4.852 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408804314 XKMYGQWHMRFKDI-XDHOZWIPSA-N 521.913 4.811 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1 408809919 LGVDHDKVSYXGET-HYARGMPZSA-N 504.926 4.680 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cc(C)cc(C)c1 408879938 GEHNVRUJOXSSLG-YDZHTSKRSA-N 515.522 4.856 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 408980381 WBQCQGJSOKYHKT-WWWKDLBZSA-N 582.726 4.737 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1 409142313 YAYYMHVNVBIDOB-YZSQISJMSA-N 531.634 4.568 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 409219768 QBIHGCZUZQWJAE-UDWIEESQSA-N 584.810 4.795 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)cc1Br 409233960 UYPOAXVEVIFDAL-DEDYPNTBSA-N 518.433 4.979 10 40 KJCB Cc1ccccc1OCCCn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 8777967 ZCYLZWBYDPBKOI-RRAHZORUSA-N 571.699 4.957 10 40 KJCB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 71328064 KQGKVEZMGZPXHV-UHFFFAOYSA-N 508.688 4.893 10 40 KJCB COc1cccc(C(=O)Oc2c(Cl)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 97964812 DCEXHFPXPWKBDQ-DHVTZTJESA-N 547.980 4.639 10 40 KJCB COC(=O)C[C@H](c1ccc(OC(F)(F)F)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108451186 ZATXTVOLFQLFGI-CQSZACIVSA-N 548.422 4.582 10 40 KJCB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408825339 ABSOUONEAKOOEW-VIYYDIFJSA-N 680.577 4.684 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1C 408844028 BMQARWSJCIQIIE-KEBDBYFISA-N 596.377 4.882 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(OCC)ccc4OCC)C3=O)c2C)c1 408853595 QDKOYZIMGQZZTG-LFVJCYFKSA-N 545.592 4.735 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cccc(C)c4)c3)C2=O)cc1OCC 409251862 ABVIVDHNRRVYNI-KOEQRZSOSA-N 557.603 4.866 10 40 KJCB CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC 409354896 BUEWVWJNWNUWFG-OVCLIPMQSA-N 507.768 4.875 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 409399705 LYZUYVBQTCKYQG-WQRHYEAKSA-N 571.225 4.691 10 40 KJCB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 97964335 IODGWUVPNRVJBL-HTWVIFJXSA-N 524.624 4.662 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103845434 OMOVLOISZPSTRR-DJKKODMXSA-N 610.373 4.730 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 105499851 HLKOPRVUFYPNKZ-PXVWUNBISA-N 567.671 4.985 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OC)c3)C2=O)c(OC)cc1Cl 408824659 IWCKDOGQUUXUCA-AWNIVKPZSA-N 553.793 4.582 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC(C)C)c(OC)c3)C2=O)cc1 408898023 KOKTZQFZTPWPHJ-WQRHYEAKSA-N 564.376 4.542 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C1=O 409064710 DRRMNANMPDNEQB-WOJGMQOQSA-N 531.373 4.736 10 40 KJCB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc(OCC(=O)N4CCOCC4)c3)SC2=S)c1 409108056 VIAMJCHBGWGEIW-PCLIKHOPSA-N 577.659 4.721 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C 409248433 GLNKHDBPCWGIRB-HMAPJEAMSA-N 548.393 4.750 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 409265644 ULPMSBDFHXRKDU-MOSHPQCFSA-N 526.401 4.842 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1 409383288 TWRCLUJRNWMQOC-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)O)o1 409386731 XCYZCBHEGLACRN-OVCLIPMQSA-N 531.304 4.539 10 40 KJCB CC(C)(C)Oc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 409400166 PTMLJEACNWWERB-ZROIWOOFSA-N 588.183 4.535 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)sc2c1CCCC2 104927412 IWFQCLUZDVNYMP-PXLXIMEGSA-N 531.634 4.873 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1 113833257 MNJOYKTZWNRXND-KGENOOAVSA-N 558.615 4.786 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C2=O)cc1 408797792 CVCNPHWPYXCSMB-HZHRSRAPSA-N 504.514 4.869 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408801940 XELSYDKQOBITPV-HYARGMPZSA-N 521.913 4.892 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 408849531 WXAUGVNVRTZHNQ-MDWZMJQESA-N 602.290 4.928 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OCC 409189438 LHJHNAVPFYDKHW-HYARGMPZSA-N 629.087 4.966 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409264554 MDJRYOPDAHBMKV-ODLFYWEKSA-N 600.878 4.960 10 40 KJCB COc1ccc(OC)c(NC(=O)CSC2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)c1 691820 PJQLCSZWGWXDSO-LFVJCYFKSA-N 516.623 4.885 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 8443475 SGXOPLITQPSEHR-XGLZOBASSA-N 620.525 4.697 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 100312597 WANDIGSXSAGRBJ-NDENLUEZSA-N 567.417 4.566 10 40 KJCB CCOC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 100562400 CMQSKNSNHUSXBC-QNWVGRARSA-N 564.377 4.865 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc2c1CCCC2 101377574 FDFYIZRUORPWKH-KOEQRZSOSA-N 609.770 4.749 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(OCC)ccc3OCC)C2=O)cc1Br 164316557 CHWTXXWOCVLUPV-CXUHLZMHSA-N 640.281 4.617 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225412420 OFPUWHRBKBTJDV-FTJBHMTQSA-N 533.679 4.738 10 40 KJCB C[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 253562325 DDGPWAIGMHQNNK-YVGVGRQMSA-N 544.401 4.571 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408848080 OTYWXVUFUAXYIQ-KPKJPENVSA-N 588.263 4.538 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cccc2ccccc12 408935663 DHCKAQCQFSEIGE-BUVRLJJBSA-N 522.513 4.792 10 40 KJCB CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)cc2)c1 8843098 ZSJUCGBOGZGNGT-ITYLOYPMSA-N 500.551 4.690 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 164348568 FBHFDHRKYUHUEG-REZTVBANSA-N 692.216 4.936 10 40 KJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C2=O)c1 408772785 HVVWMBKDWWWNOE-HYARGMPZSA-N 547.633 4.886 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)C2=O)c(OC)cc1Cl 408836605 SXXUUSFKBMXQKC-XDHOZWIPSA-N 506.942 4.911 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 408948874 HFGYIUVPQZFZRU-REZTVBANSA-N 644.228 4.884 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 409048092 RGAFBHRZBIAGFW-LPYMAVHISA-N 655.445 4.691 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409057998 QZOMCRPEROVDMS-XKHCUCNPSA-N 579.722 4.935 10 40 KJCB COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 409071010 OAVCGEOIGSNGPP-MFCBUNOESA-N 610.574 4.867 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1C 409257019 RBCXWTGAIFSCQZ-MTJSOVHGSA-N 593.390 4.658 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 2309996 FGIOMUODEIQLOJ-CMISJSSVSA-N 511.647 4.514 10 40 KJCB Cc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)c1 12285308 JQOOUOQBZHOQPB-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 103849326 ILELRFNMQSSGFR-YBFXNURJSA-N 540.301 4.742 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 408926265 LZUCISKMZVCIEI-CMISJSSVSA-N 543.714 4.928 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 408997571 HHECGHYHLSASOV-LBLGWMPZSA-N 567.711 4.790 10 40 KJCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409230267 CWDIUQJSBATLEF-DWKHYPNZSA-N 503.418 4.775 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 409248184 CJVMCACKUPUVSR-UNOMPAQXSA-N 524.360 4.986 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409271521 LYVSRCCELFAHPN-NDENLUEZSA-N 533.968 4.649 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 1228812 BOVQGPWUTPNZPJ-XPWALMASSA-N 530.374 4.761 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 100358715 XFODSESUHNSCNH-FMCGGJTJSA-N 520.588 4.847 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 100415048 LTGPGKXGUSAGQW-BHIFYINESA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 101116357 IDIXUTBGSMVCPX-YKPJJRJESA-N 527.606 4.832 10 40 KJCB CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1)c1cccc(Cl)c1Cl 113625820 NYEYJNJYAUBUMW-UHFFFAOYSA-N 548.492 4.726 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223543305 WFEVNUAUVIKASK-FTJBHMTQSA-N 514.611 4.974 10 40 KJCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)CC1 225867690 UFWOXOUUFVPVCU-MRXNPFEDSA-N 520.080 4.720 10 40 KJCB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 408831052 PIUMACKBSCYAKB-CVGPFBNFSA-N 594.055 4.849 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 408897641 SIODFAZAZUJISS-WJDWOHSUSA-N 513.294 4.973 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 408989505 UJNUWIUUADIXIS-LCQSEVKBSA-N 575.134 4.925 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 409052760 IATBQCFNVKIKFY-CSJROMOCSA-N 610.574 4.950 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409072533 SNCVOSAXPQQINR-SFQUDFHCSA-N 561.399 4.826 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OCC 409196040 SJGZTBPCPPRVNZ-HYARGMPZSA-N 720.538 4.917 10 40 KJCB O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 409265433 IIKKUZVAMDJLIR-UNOMPAQXSA-N 599.235 4.896 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)o1 409394267 XYNGFKGSRNHSAF-UDWIEESQSA-N 519.966 4.554 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 27531843 YIYLEARUNQDCIC-HMMYKYKNSA-N 507.524 4.567 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(O)=NC2=S)cc1 53226437 APFHFWYIJJQGBC-OEAKJJBVSA-N 528.590 4.621 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 101027024 NOMXMCMMWIFTBQ-WWOVWOHCSA-N 528.659 4.550 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1OC 103814553 QAZJWNAKGYZSIU-GZTJUZNOSA-N 542.329 4.518 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225412975 RRPZMGJSBVFBQN-RRPNLBNLSA-N 575.716 4.824 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408544838 XVKXDOKLHJLFKK-XIEYBQDHSA-N 539.588 4.567 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C2=O)cc1C 408854689 ABXKWBJSOHOBKF-ZVHZXABRSA-N 510.525 4.702 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 409077935 GLFUDTJBIMOEIS-ABBNRAPFSA-N 603.542 4.711 10 40 KJCB O=C(COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1)N1CCOCC1 409342126 CCSHPJVNLAWGGT-YBFXNURJSA-N 553.887 4.746 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 797210 BOVQGPWUTPNZPJ-VJBWXMMDSA-N 530.374 4.761 10 40 KJCB CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)sc2c1CCCC2 1746933 CQWRVIJZZZEFAM-UNOMPAQXSA-N 546.692 4.661 10 40 KJCB O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 12529440 HMXVKWYPGAIFCH-WYSDGSMNSA-N 522.395 4.678 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 26503371 RABMGZANKJBSTK-NGGAMFONSA-N 504.681 4.887 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 100475558 WBISGTKEOYTCIX-MHWRWJLKSA-N 516.691 4.937 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164383728 WFESVZCHBKJQSL-RGVLZGJSSA-N 631.354 4.983 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 225216795 QRHKPFGBYZSBAP-NSOVKSMOSA-N 555.660 4.949 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc4ccccc34)C2=O)cc1 408811812 LZHOGDRZHMBMQG-WGOQTCKBSA-N 536.540 4.880 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408831088 PHVSRKQMTYYCEU-PYCBVSLESA-N 613.736 4.780 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408884420 UJICRNPZAHSDDS-CIAFOILYSA-N 539.357 4.863 10 40 KJCB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)NC1=S 408913542 LRLKYMHZKYHOIP-AWNIVKPZSA-N 500.201 4.591 10 40 KJCB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C5C(=O)NC(=S)NC5=O)cc4[N+](=O)[O-])sc3c2)cc1 408987202 ATXUEMBXYUZBKN-UHFFFAOYSA-N 575.653 4.831 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br 409044438 CEITYANZGRDUNT-VGOFMYFVSA-N 553.163 4.575 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C(=O)O 409211670 NQZMMHDBWXTVIM-LICLKQGHSA-N 514.390 4.930 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409253412 BQIVFBSDLAKTDD-MTJSOVHGSA-N 608.445 4.854 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1[N+](=O)[O-] 409329110 CVBHMXSWUKCCAM-SRZZPIQSSA-N 557.587 4.985 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 9310979 NYVGIMJMFLUQOJ-DEDYPNTBSA-N 508.983 4.768 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc2ccccc2c1 103856815 IOJQUYJSHJSAFU-UHFFFAOYSA-N 525.424 4.789 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC 225300535 NOHDYQLGDMWTTE-VMPREFPWSA-N 556.692 4.963 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1NS(C)(=O)=O 225431480 FUGPTDJAOUSCSM-WUFINQPMSA-N 622.729 4.963 10 40 KJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 408529230 ITANZIGZHLXVJH-QNGOZBTKSA-N 517.449 4.651 10 40 KJCB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(Cl)cc1 408830085 RCPJATPDKDDAEX-WLJFKGHSSA-N 580.028 4.546 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409263970 DFIHONNZUABOJC-YVLHZVERSA-N 541.434 4.695 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409266287 QGVPDHFSJYDYEJ-HAHDFKILSA-N 514.669 4.957 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)OC 409328222 QCSDJCUVJBMJQV-LICLKQGHSA-N 553.412 4.714 10 40 KJCB COc1ccc(N2CCN([C@H](c3cccc(C)c3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852349 LIGGIJZGNDJOMF-HSZRJFAPSA-N 501.612 4.985 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 103856754 QXLQYAFCHNKILU-UHFFFAOYSA-N 544.254 4.942 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(F)c1 103858259 VRDRFHBFZYZUSX-UDWIEESQSA-N 525.330 4.842 10 40 KJCB O=c1sc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 225788555 RLOSVRSKTRAMEO-UHFFFAOYSA-N 514.072 4.843 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc2c(c1)OCO2 408773064 POTSDKMWTBWKPS-RGVLZGJSSA-N 520.925 4.713 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 408895780 FQTIBGYWEUANGU-NTUHNPAUSA-N 620.035 4.881 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 408898320 KYODGYJMMWJEIV-CIAFOILYSA-N 596.409 4.979 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409074581 NBKZPOHHZCNIBZ-CIAFOILYSA-N 595.402 4.800 10 40 KJCB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409272777 HDAYCYHWYBRJBO-KEBDBYFISA-N 540.937 4.980 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 8494436 KGXPCNPXWHZCQK-CSEHATQYSA-N 576.656 4.860 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 9424662 RWLZSBOPHZUWCV-XCAKCUFHSA-N 501.543 4.866 10 40 KJCB CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)[C@H]1/N=N/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 97943341 FUIFCOARNSUCDE-OZSVZHKOSA-N 563.013 4.538 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101111408 RYUYFHOCUDDHFI-PCCBWWKXSA-N 554.755 4.937 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4Br)cc3)C(=O)NC2=S)cc1 408754023 IGMIKCNVPYPHBX-ZHZULCJRSA-N 537.391 4.508 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OC 408898615 QIJCHUUYRDMZCF-ZSOIEALJSA-N 538.192 4.594 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)SC2=S)cc1Cl 409344658 HYEHADBFPHTBET-FRKPEAEDSA-N 514.806 4.980 10 40 KJCB Cc1ccc(Cn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)cc1 9463281 NAFDIVUXPXBXAQ-DCAHJCEHSA-N 510.623 4.630 10 40 KJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C 100790220 YWTQXKAJPXAGCV-VLDJDNEVSA-N 539.704 4.635 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 105498374 HMZRQDMYOAOFCD-LMSRTUJASA-N 550.055 4.998 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 225399649 YTMMSKBNGDATMQ-SVBPBHIXSA-N 592.703 4.955 10 40 KJCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408903705 WUJAOBIVMCPOGP-LFIBNONCSA-N 521.209 4.724 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409016470 CRCUSCVXSMTMDD-ZVHZXABRSA-N 562.022 4.990 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)c1 409048228 RTQOABGSMSEKRX-KGENOOAVSA-N 503.942 4.641 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409204230 CWUDWJPYPKJCOV-CCVNUDIWSA-N 661.693 4.905 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 409257209 RJPYNOQQVJCKIK-BKUYFWCQSA-N 521.060 4.994 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1 409262966 KWGQTTKZNYBFBM-FYJGNVAPSA-N 608.445 4.849 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c3ccccc32)o1 409390324 DZFKHSVRUGSFPD-UDWIEESQSA-N 564.417 4.663 10 40 KJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2079938 RFDIIJPACNPTOI-XKZIYDEJSA-N 554.386 4.719 10 40 KJCB CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OCC)c1 13914216 UILRHLJAIOHFTQ-VUQQOUJSSA-N 514.962 4.964 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 223184224 VINOYXYDUYXFEW-CLJLJLNGSA-N 510.107 4.837 10 40 KJCB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccco1 408536812 SOBZBLAVMFAGGA-QDEFPZSYSA-N 578.213 4.674 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1 408542678 MYYSGLVMIZYNEV-MFKUBSTISA-N 523.614 4.924 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)S1 408765317 LCQYESNBGHCUTM-SXGWCWSVSA-N 510.207 4.897 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 408780475 ZMZAWJBNHMIKGV-FYJGNVAPSA-N 536.338 4.911 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 408800709 OROBCHFYXRLPEV-HYARGMPZSA-N 534.952 4.771 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 408894927 JUYXYWBUOPNHOJ-HYARGMPZSA-N 579.403 4.880 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 409046203 JDGYKRCAXGUNEU-LDADJPATSA-N 524.360 4.986 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1 409047207 NSVAORUVKHSIBJ-KGENOOAVSA-N 564.392 4.532 10 40 KJCB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 409049582 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CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3C)c2=O)=N1 409058649 UNOZEMBWUUCUFY-LAUBZIAYSA-N 575.731 4.504 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1OC 409131748 XWKCTZKJEDQYAW-CJLVFECKSA-N 629.485 4.676 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccccc1Cl 409271832 NSWCWIPYDXWGPO-GZTJUZNOSA-N 572.774 4.926 10 40 KJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1Br 409275279 TUNSSQZHEXEQNP-YVLHZVERSA-N 539.249 4.953 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4OC)c3)C2=O)cc1OCC 409370057 KCABEXKTKQKZRQ-HAVVHWLPSA-N 573.602 4.567 10 40 KJCB CC[C@H](C)[C@H](NC(=O)[C@@]1(C)CCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(N)cc2)C[C@H](C)C(=O)O)cs1)C(C)C 584905266 YYYFRRSYTVJIOE-WWAIPBPMSA-N 742.984 4.670 10 40 KJCB in-vitro COC(=O)c1cc(F)cc(/N=[N+](\[O-])c2cc(F)cc(C(=O)OC)c2Br)c1Br 1857793051 OUAGGFWWUNCPBU-DQRAZIAOSA-N 508.069 4.989 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 2730170 TZANZGBCGDHSJH-CIAFOILYSA-N 507.999 4.839 10 40 KJCB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 6077037 ARLIKDBEXIDGQE-AREMUKBSSA-N 562.740 4.851 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl 223183992 QIQZEKCLKNLPAP-CLJLJLNGSA-N 510.107 4.837 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1 408773882 JSDGCMJUVVRCDP-IMRQLAEWSA-N 526.589 4.658 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(C)=O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 408834466 VAZRFZQRLVZXDM-NULZLWRNSA-N 553.684 4.717 10 40 KJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3O[C@H](C)C(=O)O)C(=O)N(c3ccccc3)C2=S)cc1C 409189180 DZODCLYJZPVKAI-CCQQXMDGSA-N 500.576 4.904 10 40 KJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 38753036 SWMDRARAVDUNAN-UHFFFAOYSA-N 524.514 4.842 10 40 KJCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N(C)C1=S 59139440 HEWYCWILLIFBJA-UHFFFAOYSA-N 514.228 4.934 10 40 KJCB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408831054 PIUMACKBSCYAKB-LJJBLSSYSA-N 594.055 4.849 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409040774 YOQHDHBOHGUWMB-SPLCHINYSA-N 708.631 4.919 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409083768 VQYDIVZRMVEYPJ-RQZCQDPDSA-N 641.343 4.519 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OCC)c3)C2=O)cc1OC 409133152 OYBJRWNRURQDEZ-XDHOZWIPSA-N 531.005 4.987 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409135185 VNPCYDIOPMVUBP-WGOQTCKBSA-N 549.624 4.707 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1OC 409146459 SUOUXLIOFWGZLY-CJLVFECKSA-N 585.034 4.567 10 40 KJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 10113448 ADZDWHWRCIIQCA-NDEPHWFRSA-N 522.070 4.881 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(I)cc1)OC21C(=O)c2ccccc2C1=O 100517613 GEJXYVDYHQRDAH-VSKRKVRLSA-N 597.792 4.635 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1ccccc1F 112245400 GASUITNFTRDOLT-WOJGMQOQSA-N 586.357 4.993 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408530988 GDCKTRCUGPDKSD-QGOAFFKASA-N 508.889 4.763 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br 408771335 FPKDOTZNIQADJO-RIYZIHGNSA-N 508.166 4.585 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 408777182 WKWRANICIBEIJY-WOJGMQOQSA-N 523.299 4.519 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408908040 AMIUZCUZDNROGG-DJKKODMXSA-N 570.327 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC 409103793 YYAZOWZDEIOZJL-NTEUORMPSA-N 570.836 4.882 10 40 KJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409231073 ICDHSOOCHZIIKP-RGVLZGJSSA-N 527.524 4.951 10 40 KJCB CCCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 97961979 BZYKAJZBDKLKRD-XNTDXEJSSA-N 560.460 4.696 10 40 KJCB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C3\SC(=S)N(CCC(=O)Nc4ccc(C(=O)OCCN(CC)CC)cc4)C3=O)SC2=S)cc1 150409297 JONJMZIOLPUVPG-QNEJGDQOSA-N 843.088 4.973 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223691522 RJORAICUKWKHAE-KAYWLYCHSA-N 505.688 4.871 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O 225396149 IAIVNYUHHPFCPM-UIOOFZCWSA-N 533.679 4.743 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)C(=O)NC1=S 408542686 NDBFXIVWUFMYME-YBFXNURJSA-N 564.417 4.883 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 408916910 INXWLTYZGIUQSG-NDENLUEZSA-N 556.369 4.907 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 408986821 PMMKLICRGDKLBK-QPJBPQEWSA-N 590.101 4.646 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 409059393 WZXCXHXQNUQILV-BCBAPRRZSA-N 555.725 4.987 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(C)n(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C2=O)o1 409400865 RLNAMTONKSJXLK-XKZIYDEJSA-N 546.967 4.714 10 40 KJCB O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1Cl 1776394 JSVCEXHRVMUTLX-MRCUWXFGSA-N 506.008 4.803 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 6906962 YHCLBBPVEKZCNZ-UDWIEESQSA-N 507.340 4.703 10 40 KJCB COC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1CC=C(C)C 31162755 BVSLLGGUGCRTFA-SSEXGKCCSA-N 522.594 4.890 10 40 KJCB biogenic,in-vitro CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408528435 BFURKCKBSHFKGO-UDWIEESQSA-N 672.428 4.601 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409256963 NABHXXJRTFQCNA-VFOSSOBBSA-N 512.653 4.710 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409338599 MTSFTKOBQTUDBA-WQRHYEAKSA-N 538.441 4.814 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1NS(C)(=O)=O 225427121 NIKKNLLIINLPOZ-SVBPBHIXSA-N 563.705 4.752 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C)cc1 408805795 HQQDHWKYBQMTOP-KEBDBYFISA-N 613.364 4.762 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409080162 MFBSSPRDNLDMKM-LICLKQGHSA-N 543.410 4.787 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 409228148 URAVUDJICOHWAI-VGOFMYFVSA-N 509.809 4.650 10 40 KJCB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 12541699 ZEORTFJTEGJCAH-UHFFFAOYSA-N 518.982 4.956 10 40 KJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223689514 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Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 104389007 JYXGDZFDMPUXTI-DYORGOFNSA-N 607.604 4.699 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 408692526 OKMLXEJQLYRBGE-YBFXNURJSA-N 513.388 4.750 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408894042 ILBSUUZKCMYKPN-BUVRLJJBSA-N 528.561 4.734 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 408917286 QJIPFBXYXAKCRR-JAIQZWGSSA-N 598.450 4.754 10 40 KJCB COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I 408981280 ACSVYDFPBBUGPP-XGICHPGQSA-N 575.584 4.691 10 40 KJCB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)SC2=S)c1 409107691 SMRKWPHSNXHYRZ-PCLIKHOPSA-N 577.659 4.721 10 40 KJCB O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccc(F)cc1 409258057 WBQBLAJKTGWPOD-FMCGGJTJSA-N 522.579 4.973 10 40 KJCB Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 1240987 XVCDPVFMQVYUEL-STZFKDTASA-N 502.621 4.652 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCCOc1ccccc1 100270496 GIZBVDYTCCMENU-STZFKDTASA-N 551.393 4.890 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 103858087 IEPKNUAASMGWSA-WUXMJOGZSA-N 559.008 4.649 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(I)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 150416444 OIOVCZZXHAXGNC-HKBOAZHASA-N 628.216 4.749 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408843239 CTMLPNBLUYBCSG-YRNVUSSQSA-N 530.227 4.995 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408980984 HASXCQBTPDLEGM-UAMLYEQYSA-N 585.726 4.840 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(Cl)ccc1OC 409017583 MPVFRKXPTUIUSM-SZYVSPPHSA-N 634.154 4.963 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)c(=O)n32)cc1 409030119 CBHYZOBAUFUJJA-HRIDGTDGSA-N 600.697 4.901 10 40 KJCB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)ccc1Cl 409207225 QOKPBWOSPAWPCE-RGVLZGJSSA-N 540.937 4.760 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(Cl)cc1 409222759 FGHGHOAVVKNGPO-DEDYPNTBSA-N 554.784 4.786 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409260906 YJEHBIPXQPUIRF-CSMVZQPBSA-N 512.653 4.791 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409341416 BOCBYDMRTCJFGU-UUYOSTAYSA-N 599.046 4.821 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1 409387563 RNZXMJPPGOSXLK-DEDYPNTBSA-N 581.984 4.960 10 40 KJCB COc1ccc(NC(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)cc1 9232227 CTTYHKQGCBQVGV-KOMLCTQHSA-N 500.598 4.695 10 40 KJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 16160674 CCVZCICQWRPPJH-WQRHYEAKSA-N 509.747 4.663 10 40 KJCB CCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 100861303 JYSQKBAVLGIUCN-JWGURIENSA-N 538.695 4.676 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 103852046 SSOUNGKEVUWNAD-LICLKQGHSA-N 540.956 4.596 10 40 KJCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 113634993 DOZGFKQURHXRQS-UHFFFAOYSA-N 537.682 4.514 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1O 225396123 IAIVNYUHHPFCPM-IZZNHLLZSA-N 533.679 4.743 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1=O 408535400 NYSGVABBAORAJT-SYHWEURASA-N 576.359 4.951 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)ccc1Br 408758624 NZXOSDKDBZGPAB-WQRHYEAKSA-N 510.300 4.901 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1cccc(F)c1 408865082 ANELNAYRYSQPHZ-CIAFOILYSA-N 586.357 4.792 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Br)cc1 408876800 NYYCAEDVXSJNHK-PDGQHHTCSA-N 525.330 4.842 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2Br)c1 408886161 DUHONWKPGQAQFW-DEDYPNTBSA-N 507.340 4.703 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCCO2 409199544 OREGMODCKYTHPP-SRZZPIQSSA-N 540.937 4.744 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1Cl 409334277 WOQQQXLDBOPXPU-PXNMLYILSA-N 575.833 4.818 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 2224815 IKVJYZCLCGIDKT-DSNGMDLFSA-N 523.545 4.859 10 40 KJCB CCN(CC)c1ccc(C=C(C(=O)NCCc2ccc(OC)cc2)C(=O)NCCc2ccc(OC)cc2)cc1 12311561 YVXIFXLSJJFLQH-UHFFFAOYSA-N 529.681 4.651 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 15229586 NBLHKKQCHWZDEW-TZSGJGDNSA-N 506.653 4.556 10 40 KJCB Cc1ccccc1NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccccc3C)C2=O)SC1=S 101002374 CHTJVOQWVYOMMS-QURGRASLSA-N 584.770 4.593 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 103787006 BHURTVKAUFGDGH-HDFSHUSISA-N 571.699 4.613 10 40 KJCB O=NN(c1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104213498 HNCOSKFKHFOLEW-VXPUYCOJSA-N 517.392 4.893 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 205792517 OCJKMFQWOQCTEF-DEDYPNTBSA-N 502.434 4.905 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225441972 NGFXQOASUZBJBH-RRPNLBNLSA-N 563.705 4.747 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 408764721 NBDFFPCAOCTQRC-FYJGNVAPSA-N 508.372 4.840 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2ccccc2F)c1 408891144 MFHYPOQZMFQTGZ-UDWIEESQSA-N 525.330 4.842 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408947279 BSWUJJYANHREBI-OEAKJJBVSA-N 537.484 4.722 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 408954642 SCEDWWOGVCUPTB-RQZCQDPDSA-N 539.313 4.562 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)c2=O)=N1 409033607 MIGCSZYJVOAEHO-ASZNLBCTSA-N 525.674 4.823 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409261801 BLPZRQUQSKEXCM-CIAFOILYSA-N 547.995 4.958 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1 409268689 XOUJQYDKEPCYCH-PXLXIMEGSA-N 578.419 4.840 10 40 KJCB CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409270963 IYMDEMVCHCSVKS-CSMVZQPBSA-N 512.653 4.655 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409271626 VMJJYWUDDPBKBA-YBFXNURJSA-N 582.382 4.589 10 40 KJCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 26533900 KIBFUFAIRDNYSA-XIKQRPLDSA-N 504.681 4.887 10 40 KJCB O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 59690713 TZGLFACAIQFNGR-HMAPJEAMSA-N 533.656 4.575 10 40 KJCB Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c2ccccc21 101061752 KUVFUPBIWMUHLF-RJOGASPCSA-N 540.649 4.660 10 40 KJCB CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 101249475 GLYIVPQFHSHVMY-KKUQBAQOSA-N 539.584 4.709 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1OC 225308548 OEMRHMPBQXOPBR-IZLXSDGUSA-N 527.650 4.951 10 40 KJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 408692243 IGYNRWJBPSKJIG-GZTJUZNOSA-N 550.780 4.928 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408992213 ZZXONKYRWWZGFW-CRCYZHLCSA-N 590.101 4.946 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409044222 UNAKHOJLQRROAX-XDHOZWIPSA-N 620.275 4.954 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1OC 409140245 QGDOAPLDFCUWEZ-BUVRLJJBSA-N 518.541 4.864 10 40 KJCB COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 409238651 KSBAACYRMUBDIV-QAIWHXNASA-N 577.522 4.658 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1 409239257 PBMPMQUORUZGIZ-XDHOZWIPSA-N 507.999 4.674 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 409267008 ZYYUBYVELLBGAV-MTJSOVHGSA-N 671.298 4.991 10 40 KJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1Br 409331285 NSFPUCAFFNIXBZ-YVLHZVERSA-N 586.249 4.795 10 40 KJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC 8918613 GYVBHSOTBVPNDX-GSDHBNRESA-N 509.558 4.735 10 40 KJCB biogenic COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 13942961 JEPBHIPNAQPRPD-BPYHLWOZSA-N 518.517 4.951 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCC(C)CC3)nc12 27016633 VZYRUJCODHMJOL-OQKWZONESA-N 504.681 4.683 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3C)C(=S)N=C2O)cc(Br)c1O 97962643 TZZYYPWSKOBPHV-WUXMJOGZSA-N 526.206 4.906 10 40 KJCB CCc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100415353 VBFSYKULYAAZOX-RJGXRXQPSA-N 530.374 4.707 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 103858702 KIYSFAXKXODUFA-UDWIEESQSA-N 552.337 4.611 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 223466488 DMHDDZOILZOJOY-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)C1=O 409046626 KPJSKZPFFHGYOJ-CPNJWEJPSA-N 524.360 4.986 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 409064340 CPDTWTCQNZHLMD-DEDYPNTBSA-N 561.399 4.826 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC 409146963 LXJVZUJXXVJXSE-LPYMAVHISA-N 673.538 4.993 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409263752 MKJAKVXYLGYULI-BKUYFWCQSA-N 533.968 4.731 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 409370161 MDXSOHQPLAXFMY-ITYLOYPMSA-N 607.619 4.967 10 40 KJCB O=C1C[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108448844 SIAPZMHOVZCKQN-HNNXBMFYSA-N 542.452 4.682 10 40 KJCB biogenic CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)O)n[nH]1 408633522 ZFZOCYKFOYAPQT-BOPFTXTBSA-N 508.385 4.987 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408723693 ZZGFNWLZVFEMEW-LICLKQGHSA-N 554.924 4.789 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408771975 JJLDMMSVDDYQJY-VPBNWZFVSA-N 514.553 4.959 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408791576 YXWZNJIYVUJCOV-OEAKJJBVSA-N 514.534 4.646 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408802796 HNKIKCKZGWWVJO-CIAFOILYSA-N 506.942 4.998 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408839897 DBGWZYBGWQFILM-NXYYLBPMSA-N 647.709 4.770 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 408918000 DXEXRIQCXBPUOV-MKMNVTDBSA-N 544.254 4.990 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1C 408984915 UHFZTMLMWJNWPP-MTJSOVHGSA-N 505.958 4.817 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 409067605 GEKGSYUJZUHKDI-VCHYOVAHSA-N 656.813 4.526 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409248966 RUKUANLTNJIOLP-PXLXIMEGSA-N 510.506 4.663 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)cc1 409369560 CXRJSNBRMZJBFA-PCLIKHOPSA-N 513.619 4.715 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1F 409379702 YMUHOJNWKGDZDP-BOPFTXTBSA-N 528.323 4.816 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c3cc(C)c(C)cc32)S1 8431463 PPXZRVSXUFSTDP-IRXDYDNUSA-N 628.794 4.680 10 40 KJCB O=NN(c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100057211 HNCOSKFKHFOLEW-FMQUCBEESA-N 517.392 4.893 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 408537862 XUEXRZQDFPVMTG-VLAPBQICSA-N 516.937 4.942 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409047050 MIKHSLUNLHUZES-FYJGNVAPSA-N 625.419 4.682 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)c2C)cc1 409196230 UTHROJNPUVXKBE-ONUIUJJFSA-N 546.649 4.614 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC 409332883 SMICWPWSWZVJIT-LICLKQGHSA-N 555.415 4.566 10 40 KJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(I)o1 103842542 JTWVJEGFLRUTQQ-QPJJXVBHSA-N 572.005 4.785 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O 225484886 CPZGHOKTYUQTHE-IZZNHLLZSA-N 562.721 4.750 10 40 KJCB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O 408821607 JJQIVNCAJKLXNU-HYARGMPZSA-N 506.942 4.993 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 408902603 KXXMAFVHRQQYKX-VXLYETTFSA-N 569.339 4.540 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1Cl 409248693 FKGLLCRINYTBPA-ATVHPVEESA-N 526.401 4.842 10 40 KJCB COCCCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S 409254020 CNMSOWIIDUQEBE-UNOMPAQXSA-N 510.559 4.961 10 40 KJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O 659496 JXCFCHGGZYGDRK-ODLFYWEKSA-N 518.742 4.950 10 40 KJCB COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1S(=O)(=O)N(C)Cc1ccccc1 3365155 KWHFIHRZTWMRKZ-UHFFFAOYSA-N 546.645 4.963 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC 8385871 CPISGRWQSXWHTE-WWWKDLBZSA-N 613.736 4.781 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1 33751087 YYBZHYNRKUUUSL-ZDLGFXPLSA-N 500.313 4.611 10 40 KJCB COc1cc(NC(=O)C2=C(N3CCOCC3)/C(=C\c3ccc(N(C)C)cc3)CCC2)cc(OC)c1OC 101273254 ZCQLDWFUUYNVRY-FXBPSFAMSA-N 507.631 4.571 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]32)cc1 101481642 ABZJBTHHXFRTBH-BDTNDASRSA-N 506.341 4.997 10 40 KJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C 223653037 AHAJQPYRJQIQJO-GOTSBHOMSA-N 513.461 4.787 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(Br)c2OC(=O)c2ccco2)C1=O 408531984 HSZIEVQPHWPDIG-GDNBJRDFSA-N 574.181 4.999 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408893602 BGTJNIUQLXSLOD-LPYMAVHISA-N 639.446 4.991 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409059796 XMMCXBNILPYZAR-ACJNQYEBSA-N 552.675 4.922 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1C 409267836 PFMPETQHLSHJAV-CIAFOILYSA-N 566.383 4.889 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1 409348313 SLEIHXUXLRYBCJ-ODLFYWEKSA-N 514.968 4.853 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409405533 HNTIRXWYTZZAOD-BKUYFWCQSA-N 550.409 4.635 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]23)cc1 18099495 JJFVBYQYOZEZDB-BHIFYINESA-N 505.448 4.709 10 40 KJCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2OC)c1 26608211 ATRUMIVQFLHWPR-HLUGXMBVSA-N 508.600 4.827 10 40 KJCB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 103102550 MPYMGQMJIOCZFJ-AUSOSSAASA-N 600.693 4.847 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225399472 MCYGYYCZOPGRLT-SVBPBHIXSA-N 592.703 4.955 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1Cc1ccccc1F 408884930 WAIICSSWBCJABT-YBFXNURJSA-N 509.331 4.854 10 40 KJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408965547 IPRCOEWNEWQIQH-GIJQJNRQSA-N 511.962 4.725 10 40 KJCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1 408992882 UAICYRNIYAEHDD-UHFFFAOYSA-N 561.626 4.522 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409098895 RFTSKYDYXMLEPS-FVUNBJOLSA-N 656.805 4.623 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409245375 RTBRYWAYJDWHST-ZHZULCJRSA-N 555.372 4.764 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OCC 409365989 XAIDPKZLYCXQEP-XQNSMLJCSA-N 561.566 4.697 10 40 KJCB COc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)cc1C 8914171 YSZVLKAUCLIOKY-PXLXIMEGSA-N 504.539 4.619 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1 225230110 BSPWQZMILJIREP-IZLXSDGUSA-N 527.650 4.951 10 40 KJCB CC1CCN(c2cc(Sc3ncccn3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)CC1 225953792 SKWYYFFESYYUOC-UHFFFAOYSA-N 520.732 4.741 10 40 KJCB COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408900432 SLLDRBVMLAIXKE-WUXMJOGZSA-N 514.557 4.540 10 40 KJCB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 409009310 DCGBVADESHMSJK-HIQXPHMNSA-N 541.025 4.845 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409015633 OUFKOCLBMSBGLI-ZXVVBBHZSA-N 599.709 4.688 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409046741 LOQXREYEHGJMLO-KEBDBYFISA-N 554.386 4.994 10 40 KJCB CC(C)OC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 409187452 QMURCISKWWZTFV-UHFFFAOYSA-N 500.576 4.765 10 40 KJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 409255388 JYWYJYUTMNTEFY-ZHZULCJRSA-N 517.969 4.949 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409265878 WMUBFIODDMJRBD-MTJSOVHGSA-N 550.036 4.814 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br)Nc1ccccc1 409267070 SCHNONZKKHCTGN-NVMNQCDNSA-N 644.232 4.804 10 40 KJCB O=C(O)CN1C(=O)/C(=C/c2cc(I)cc(I)c2OCc2ccccc2)SC1=S 409346760 NXEGFWCURKTNDC-CHHVJCJISA-N 637.258 4.761 10 40 KJCB COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(O)c3O)[C@@H](C(=O)c3ccc(O)cc3)[C@@H]2C(=O)c2ccc(O)cc2)c(O)c1O 2332242439 RLHSHDIAEPWEMW-RTZFHNOTSA-N 588.565 4.748 10 40 KJCB CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2204797 NHNIFLODBUWXMR-WJDWOHSUSA-N 502.415 4.859 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C(O)=NC2=S)cc1 34201522 LHDFQBXXSIPTMX-BKUYFWCQSA-N 518.547 4.653 10 40 KJCB O=C1C[C@H](c2ccccc2OC(F)(F)F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108449662 CSKVZCXWRZXSEF-GFCCVEGCSA-N 516.380 4.622 10 40 KJCB biogenic Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)c(C)cc1Br 408531412 KMABHAZODUIBCP-XDHOZWIPSA-N 522.403 4.506 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 408799971 MFEGONCHCYHOPN-UDWIEESQSA-N 507.886 4.502 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Br)C2=O)cc1 408867795 NSUCMKLXKCXYBX-XQNSMLJCSA-N 563.404 4.892 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409015215 AWUJWCORFCDDGA-ZVHZXABRSA-N 547.995 4.682 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)NC2=S)c(OC)c1 409099423 SHTNUIJRIAYDIO-RGVLZGJSSA-N 540.439 4.705 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c(OC)c1 409100231 UQGYXUZNKPWKMX-GZTJUZNOSA-N 502.470 4.814 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409238886 LYNYOQXTHFGTNP-ZDLGFXPLSA-N 568.458 4.813 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409246655 KGWWECRUMMYXED-GZTJUZNOSA-N 517.441 4.714 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC 409349062 UTLNUGQORGBPOY-DHDCSXOGSA-N 528.349 4.622 10 40 KJCB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 660006 YSMVWGVARWTJEF-UHFFFAOYSA-N 532.691 4.885 10 40 KJCB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1 13631778 PFXZADQLYJJPDB-UHFFFAOYSA-N 514.047 4.524 10 40 KJCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 100870086 WMRJSVCSLODRBS-ZHZULCJRSA-N 529.087 4.896 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 223141906 IHBVRJBSLIMZSN-RPBOFIJWSA-N 540.531 4.556 10 40 KJCB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 223497309 HTWBJNKFSHJZCJ-TTWQBBKJSA-N 503.599 4.935 10 40 KJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C 223655886 BEPDHZYBPNBQOT-RRPNLBNLSA-N 505.688 4.871 10 40 KJCB O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccccc1 408753172 IKEFXOHMBGDNSN-HMAPJEAMSA-N 543.377 4.709 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OCC)c3)C2=O)cc1 408887272 NIEBXHYHZXDLMK-PXLXIMEGSA-N 504.514 4.869 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 409042562 NIJDSDJLEZVSID-FYJGNVAPSA-N 552.356 4.581 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 409061283 YZFNMTKXTDFYFJ-NQCZSQBNSA-N 533.719 4.511 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409222327 CLAPFJBHEJVYSU-CIAFOILYSA-N 533.968 4.649 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(Oc2ccc([N+](=O)[O-])cn2)c(Br)c1 409398505 BOBKGZSARGBUSZ-NVNXTCNLSA-N 560.158 4.769 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 6226496 DPEOKBJRCVKDIP-LCQSEVKBSA-N 592.117 4.876 10 40 KJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 260924156 RWPWWBMZYSPQQL-DQEYMECFSA-N 512.123 4.671 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC(C)C 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[N-]=[N+]=NCCOCCOCCN(CCOCCOCCOCCC(=O)O)C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 606303295 PMJYXCRDKLEIKK-UHFFFAOYSA-N 767.814 4.533 10 40 KJCB CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1OC 97960559 GNFJXSXYPAHRGO-RQZCQDPDSA-N 531.359 4.523 10 40 KJCB CC1(C)C[C@@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c2)C1 103102543 MPYMGQMJIOCZFJ-PPGPUPIYSA-N 600.693 4.847 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(F)c1 103843250 GJNNSPNYESFLJD-QGMBQPNBSA-N 569.339 4.571 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C 260918009 KMVLBIXARHLRLT-UKDVSSAZSA-N 507.616 4.557 10 40 KJCB CCn1c(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633777 PFYOTLGUARWCLD-XSFVSMFZSA-N 515.979 4.581 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Cc1ccccc1Cl 408870046 UNWXTQLLABNUGI-HYARGMPZSA-N 518.953 4.783 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 408984864 NEHDHFHHSGVWKX-QTTRZTASSA-N 587.723 4.626 10 40 KJCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1Br 409016870 UAKNYPDWXFJAGB-UYPHOHSBSA-N 501.377 4.652 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(OC)c3)C2=O)cc1 409045720 HGOXKYVOBKSLPL-LPYMAVHISA-N 563.994 4.740 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409056225 FVGLQMKRLKEGEZ-BSGTYYGESA-N 540.714 4.926 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 409069484 XWXAJFKQVGAGHD-YBFXNURJSA-N 609.827 4.868 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409075379 XTUVKBOCWOVRIY-GIJQJNRQSA-N 556.314 4.845 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 409385722 JUHXSNFBEZHSPH-FYJGNVAPSA-N 550.036 4.760 10 40 KJCB 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408827125 CKRIROAYQARLBK-HRIDGTDGSA-N 599.709 4.691 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 408897927 JKIQJHRCLFBWID-YBFXNURJSA-N 602.356 4.693 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409264695 PIRCTPHVNUXTMQ-GRSHGNNSSA-N 645.837 4.946 10 40 KJCB O=C(COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 409266929 SHARRBUDGJNTFG-ODLFYWEKSA-N 644.232 4.804 10 40 KJCB COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 409377106 DNQAXXQVSDIKGW-NDENLUEZSA-N 540.359 4.686 10 40 KJCB Cc1cccc(COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc(Br)cc2[N+](=O)[O-])c1 409400179 PWJOMGRDDNAORE-NDENLUEZSA-N 508.328 4.706 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 8695565 RYFNLCMIEZCRSJ-YNMQQHPQSA-N 559.663 4.744 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1 8820081 LSHPFPQHIMZSAC-HKWRFOASSA-N 512.609 4.572 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 9339710 VUBYFKBTSGCYHA-BLWGPSFQSA-N 520.680 4.579 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)cc1 408871792 XITVOTSGWMUBHK-FYJGNVAPSA-N 509.331 4.854 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408887361 PZTRTNJVCSHZTH-CHHVJCJISA-N 526.346 4.945 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408899589 PJMRXYBFOGGQOD-WOJGMQOQSA-N 553.281 4.724 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 408941202 OWWYUKJJEZEGDA-VXLYETTFSA-N 570.327 4.750 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccs1 408982932 KBXYCNFDLLTFED-LYRGBEMXSA-N 538.094 4.921 10 40 KJCB 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555.725 4.724 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 223542220 FBYLQFHNACCWLZ-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)s2)c1 225173180 GQVWIJJTPQKTDK-UHFFFAOYSA-N 513.000 4.784 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 225216059 QQOJTYUZQIJIBT-VSGBNLITSA-N 527.650 4.957 10 40 KJCB COc1ccc(NC(=O)CC(=O)N2N=C(C)[C@H](N=Nc3ccc(S(=O)(=O)c4ccc(N=N[C@@H]5C(=O)N(C(=O)CC(=O)Nc6ccc(OC)cc6)N=C5C)cc4)cc3)C2=O)cc1 263593509 BIIOLFWQCLKOSV-UWXQCODUSA-N 848.855 4.988 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 408757799 CFCIUYVYUVOUEX-FHJMOKKUSA-N 567.711 4.790 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1 408785594 ZZXAANFAROTWKC-QRVIBDJDSA-N 506.942 4.505 10 40 KJCB CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)C(=O)NC1=S 408910162 JIHYBWAUJSCDRX-VGOFMYFVSA-N 500.201 4.591 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C 409238929 OOHPUWZSLARMFM-UDWIEESQSA-N 507.999 4.674 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409252019 RGLLVQQBXOITOK-WQRHYEAKSA-N 599.383 4.984 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409268383 ZKBJBQXFIFDBMW-JCMHNJIXSA-N 529.618 4.551 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1OC 409269740 MHXCAHKFPQUEFG-HAHDFKILSA-N 587.629 4.793 10 40 KJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 1410417 ABDZMAPUDOSWME-UCQKPKSFSA-N 507.637 4.977 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c([N+](=O)[O-])c1 225483842 OXFQXKMBURJVMJ-NSOVKSMOSA-N 622.729 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(C)c1 408692827 WHUHBOCEOJBPBG-YBFXNURJSA-N 513.388 4.750 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 408804886 BZEOJCDDYPXORI-FYJGNVAPSA-N 504.926 4.680 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c(C)c1 408983561 MIRUXJADBNYGQI-MTJSOVHGSA-N 505.958 4.817 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c([N+](=O)[O-])c1 409228348 XRBNGGJNLKAHBM-WOJGMQOQSA-N 508.918 4.639 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccccc2F)c(C)n1-c1ccccc1 3295640 ZVWNYVCCDXHEFH-HHHXNRCGSA-N 546.620 4.775 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3cc(C)c(C)cc32)S1 100112294 VRNCZOJDQOACLA-UHFFFAOYSA-N 622.746 4.801 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccco1 408531274 GPZLHEWEISXGQW-WJDWOHSUSA-N 560.154 4.690 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1 408739990 HIGRWDUWEGZRTJ-DEDYPNTBSA-N 507.340 4.703 10 40 KJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 408818574 WAOIZNZRXPKWMT-FYJGNVAPSA-N 506.942 4.993 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1 408873740 VHEPPIVQVWZWQG-RGVLZGJSSA-N 539.357 4.863 10 40 KJCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 409018794 ZGODZLPDAABLPF-TURZUDJPSA-N 578.687 4.688 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 409029410 AOGPSNJUYWOEAQ-NNAGEYCMSA-N 555.700 4.993 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1 409041941 LEXUXGKCMCJTIS-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409043037 PGNMSBKEYPAMAJ-OQLLNIDSSA-N 553.163 4.575 10 40 KJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 409072512 CJUIDJNFDIZNQF-ZXVVBBHZSA-N 554.580 4.700 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OS(=O)(=O)c2ccc(Cl)cc2)S1 409085752 DBUMJZRMCKOXCO-VIZOYTHASA-N 594.690 4.739 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OS(=O)(=O)c1ccccc1 409344229 IGXYWIRPIIUPRN-JCMHNJIXSA-N 513.618 4.877 10 40 KJCB CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 6134779 ZSWPBPTUYLWOEN-SSEXGKCCSA-N 554.695 4.520 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC 9310503 VVVYCRJPQYIYGY-GZTJUZNOSA-N 508.415 4.805 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 97946640 ZFJLIKZVGOIXMX-QHKNXTSZSA-N 542.686 4.592 10 40 KJCB O=C(/C=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 105352967 VOZKQRYHZYLOML-WTDSWWLTSA-N 571.453 4.658 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1OC 225300646 NOHDYQLGDMWTTE-FQLXRVMXSA-N 556.692 4.963 10 40 KJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)n1-c1ccccc1 225412272 ICMJHBSGGGMSJB-LOSJGSFVSA-N 503.653 4.729 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C(=O)NC1=S 408741054 JTKOMYMXPFFKIO-NDENLUEZSA-N 539.411 4.905 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408825616 BEZXUSZTSFEGCT-HDFSHUSISA-N 599.709 4.693 10 40 KJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccc(Br)cc23)SC1=S 409127097 QDCZNCZPGHQQTB-YKAVCUTLSA-N 536.517 4.556 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 409219753 PXFWEPUOZGARDL-DEDYPNTBSA-N 510.333 4.677 10 40 KJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1 409221114 LBESFKFQPLJCEH-OEAKJJBVSA-N 526.593 4.867 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409261893 FDKKHIGMURENRD-WQRHYEAKSA-N 521.458 4.917 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409261940 GDIAVRPPRBXLJN-NHDPSOOVSA-N 670.416 4.509 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c3c(C)cc(C)cc32)S1 100574676 HZUZUHBFNVDGQZ-CALCHBBNSA-N 628.794 4.680 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 102785541 BVNYYYOBTPSLSS-VABKMULXSA-N 577.374 4.603 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408805679 BRFYBLCERAVXKR-HYARGMPZSA-N 594.374 4.779 10 40 KJCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1 408952338 NJOIVXRIPDXKLD-VULFUBBASA-N 528.605 4.763 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409074826 SDRSBGHVIVOWSF-DEDYPNTBSA-N 534.952 4.991 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409269362 HWLLSFYVICBRKP-FYJGNVAPSA-N 578.419 4.758 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409409692 WLJZWZMVOHZGSY-NDENLUEZSA-N 617.827 4.822 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 4091210 VGBHKWPTSIHOCH-HKBOAZHASA-N 536.765 4.798 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1C 101481003 IPMVSCMWTBDRKB-YTFSRNRJSA-N 530.374 4.761 10 40 KJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 103860371 GPIRRNNZJNDEEB-MHWRWJLKSA-N 531.771 4.892 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315105 IAZMVJXHNSTAQH-QTLGCAHFSA-N 507.616 4.557 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408845521 KBYHTKCFIUPVNT-SRZZPIQSSA-N 534.952 4.909 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 409020844 UQODPFSUQVDYKR-ZVHZXABRSA-N 585.476 4.702 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1C 409071286 NOAJSAWMXLLSKQ-DEDYPNTBSA-N 555.406 4.500 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409233563 LBIYFZYOQPMUCQ-ZDLGFXPLSA-N 568.458 4.813 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1 409363787 NPJSVHQVODTQRQ-HYARGMPZSA-N 582.382 4.671 10 40 KJCB CCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 26531916 CZMADMMCJWDMQI-ISLYRVAYSA-N 511.463 4.812 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 100766650 SWBOOCXVDUTPMY-DSITVLBTSA-N 519.985 4.634 10 40 KJCB COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 102621822 UOLUXEDVTJEUAV-BWAHOGKJSA-N 587.702 4.570 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccc(Br)cc1 223141995 IHBVRJBSLIMZSN-DQEYMECFSA-N 540.531 4.556 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F 408878960 DJRISDADVFWWQX-WOJGMQOQSA-N 525.330 4.842 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408936586 GUWJQFZMUSBFNI-RGVLZGJSSA-N 566.910 4.801 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1 409043084 PQJXEAFEHDYXAP-HYARGMPZSA-N 533.968 4.731 10 40 KJCB Cc1cc(N2CCCC2)c(F)cc1CN1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 643569306 BCCAZUYYFMGACN-UHFFFAOYSA-N 504.606 4.888 10 40 KJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccco3)C2=O)c1 408529800 DEYOUSIBXDPUMG-YBEGLDIGSA-N 574.181 4.999 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1Cc1cccc(F)c1 408873296 SJQQCNLINQVIKT-CIAFOILYSA-N 524.302 4.754 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1O 409244320 BAEMBHIMTSHFON-UXBLZVDNSA-N 544.583 4.554 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 409272174 PDAIBMKWALAFFB-STZFKDTASA-N 503.942 4.641 10 40 KJCB COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1 14273731 JTXFGIIXTDZZFW-UHFFFAOYSA-N 514.991 4.662 10 40 KJCB CC(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 96221090 DUSHXYURWVNOCN-MRXNPFEDSA-N 504.491 4.758 10 40 KJCB biogenic COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc(Br)c1O 97961005 FKWZGSDACBUUGP-LFYBBSHMSA-N 512.179 4.597 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414173 BADACNGLHQXBIU-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB C[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512889 DDGPWAIGMHQNNK-CVMOONKQSA-N 544.401 4.571 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 408533281 JUGMHFIMGYXWMK-KGENOOAVSA-N 596.377 4.884 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)c(Cl)c3)C(=O)c3ccccc3C2=O)cc1 408735420 PTAUOPHUMJIBCD-ZRBLBEILSA-N 564.377 4.865 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)C2=O)cc1 408741252 OTLKPGPZGDOYNW-CPNJWEJPSA-N 528.302 4.616 10 40 KJCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 408770874 ARYBSXAMDVFDGM-CIAFOILYSA-N 505.958 4.817 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1 408888465 VSDAVUYMWVCDJK-KGENOOAVSA-N 569.433 4.754 10 40 KJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N(c2ccccc2)C1=S 409017746 GYNLBWPDBBRDAJ-HAVVHWLPSA-N 501.608 4.834 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409051157 AYSJTZMKVVELKT-LAUBZIAYSA-N 575.731 4.504 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Br)c(Cl)c1 409206397 JCLXNMMAYXBFHZ-YBFXNURJSA-N 536.835 4.614 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc6c(c5)OCO6)cc4)c3C)C2=O)o1 409398044 BKACKFHAKAGHNX-QFEZKATASA-N 569.570 4.874 10 40 KJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Br)c(O)c(I)c3)C2=O)c1 38216495 IZLOCMCQWZHOBK-AWNIVKPZSA-N 541.139 4.883 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OCC(=O)OC(C)C 101573870 LVFJLNTZMLLADY-VXLYETTFSA-N 545.386 4.683 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1Cl 103856749 RWOZAZVFHQNDED-UHFFFAOYSA-N 544.254 4.942 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1 408819067 YACKKXQMCUVHQU-KGENOOAVSA-N 507.340 4.703 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Br)c1 408875593 GFQDRZMGHXRVHG-VXLYETTFSA-N 524.302 4.754 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c(C)c1 408931709 PGBPYIKEQWACNU-HYARGMPZSA-N 501.608 4.637 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(I)o2)C(=O)NC1=S 408949958 CSRCOLVNLQUPFH-BJMVGYQFSA-N 596.038 4.549 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 409022781 SPYVMUKCHQVCMW-PKYOQBLNSA-N 753.615 4.755 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409085620 CEABYYFEXTUBOC-WHNPURCTSA-N 549.140 4.666 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409104205 GOBWMCBGVRBBBT-SVXDAGRPSA-N 598.769 4.817 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc(F)cc1 409343556 IAFPYZCXIFXSBN-RQZCQDPDSA-N 526.405 4.852 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1cccc(F)c1 409400446 QYVHNVSITYWJAZ-NVMNQCDNSA-N 544.764 4.721 10 40 KJCB COc1ccccc1CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1565524900 WRYPFXZOXCZAAP-PMERELPUSA-N 508.622 4.546 10 40 KJCB COc1c(I)cc(I)cc1/C=C1\C=C(c2ccccc2)OC1=O 6905768 AAHNYZFTAWKYIG-NTUHNPAUSA-N 530.099 4.886 10 40 KJCB N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 9210690 HJSDJQDZMKFLDN-NQXOJBCQSA-N 505.918 4.761 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 13645029 FOERGFMLNQWMKD-NLHLISGVSA-N 518.708 4.929 10 40 KJCB CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OC)c3)C(=O)N=C2S1 13895121 XZHJDVDPDJTANN-AKZCVUIYSA-N 508.600 4.971 10 40 KJCB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1C 102768807 PAIHOOMLOZNULM-OHMBLGONSA-N 502.644 4.733 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O 225430572 IWGHCJKJWFOXIG-IZLXSDGUSA-N 622.729 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(C)cc1 408692648 RNJBJTMGWKGSGA-YBFXNURJSA-N 513.388 4.750 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 408759364 CTTVMPNIHLHCGL-POKSHJSXSA-N 613.736 4.505 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 408831972 QIPRNHQPBZRBPI-LCQSEVKBSA-N 570.671 4.731 10 40 KJCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)cc1 408853567 PREJHLIJUMAMNF-MFKUBSTISA-N 506.562 4.872 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408912286 DXRKXGLPGZVPRH-RGVLZGJSSA-N 582.382 4.671 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409076041 WWCNEKNFCVDERU-RGVLZGJSSA-N 657.373 4.542 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc(C(=O)O)cc1 409399111 FYAZOKXGDOTECP-ODLFYWEKSA-N 527.758 4.841 10 40 KJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2207288 AWPSCIWHXVHFHB-IQPQYADRSA-N 528.659 4.802 10 40 KJCB Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])c(N5CCCCC5)cc4N4CCCCC4)c(=O)n3c2cc1C 8854661 FQQBSTJWPDAGNH-WGOQTCKBSA-N 517.655 4.963 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2C)cc1 16693233 HBNMEXRPEWECMJ-IWIPYMOSSA-N 517.607 4.501 10 40 KJCB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCCN1CCN(C(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 150447618 COQSPVSFMREIQM-UNOZQHNUSA-N 731.991 4.942 10 40 KJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C(=O)NC1=S 408782807 JRVKUBXYEFKQHX-DEDYPNTBSA-N 612.445 4.962 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408875896 MEGYHAISUYAFEG-YVLHZVERSA-N 570.327 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 408901542 YQPKQCHQHFVMFO-CIAFOILYSA-N 643.409 4.821 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCCOc1cccc(OC)c1 408970928 AVAWLQWPOWPXMB-HMAPJEAMSA-N 536.968 4.872 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1C 409145266 PWYQIRIPTRVJNH-HYARGMPZSA-N 501.608 4.637 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 409341448 AWFWRHOWBQOJFR-CIAFOILYSA-N 552.546 4.850 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1 409364637 QQNOCVMTDFQMRR-RGVLZGJSSA-N 572.774 4.926 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl 409375292 IMSQZLMHATULGX-LDADJPATSA-N 584.810 4.795 10 40 KJCB COCCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 97947035 CWGNYXTTZQWBBH-VHUCWBOISA-N 535.858 4.632 10 40 KJCB CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 97947688 CITWJINSBRTLID-QNGOZBTKSA-N 569.108 4.529 10 40 KJCB COc1ccc(C2CC(=O)C(C(c3ccc(O)c(O)c3)C3C(=O)CC(c4ccc(OC)cc4)CC3=O)C(=O)C2)cc1 101275594 VRUBJSXZFVZEBQ-UHFFFAOYSA-N 556.611 4.863 10 40 KJCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408533621 KIBYJUZUUSSUFH-YCZKWLMNSA-N 580.322 4.782 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Br)cc1 408887211 MOZKVKNHLMNYAE-DEDYPNTBSA-N 569.433 4.808 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1 408917175 OHQIROXAITZEAW-ODLFYWEKSA-N 588.398 4.849 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409263003 GOFGUMBVIASDGI-WQRHYEAKSA-N 554.386 4.994 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCc4ccccc4C3)nc12 13811650 URCHHRQKWBCLEH-JCMHNJIXSA-N 502.665 4.709 10 40 KJCB O=C1/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 100762235 PVWNQARRUSIUMG-JWGURIENSA-N 564.092 4.669 10 40 KJCB CN(C)CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 101007002 VSOOHXMHOCJJQE-ULJHMMPZSA-N 569.705 4.534 10 40 KJCB C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C1 101066077 QNSDAMZTTPUYEY-OYADDEIPSA-N 538.720 4.791 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223466422 RQLPMPKBVHSDTI-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC(C)C 408806276 INCNVPMOSMAGGH-RIYZIHGNSA-N 507.768 4.873 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCc1ccccc1 408810535 TXNIYKBENDKBLV-FYJGNVAPSA-N 579.403 4.880 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3ccccc3F)C2=O)cc1 408871310 XPFGHRRUYAOGFJ-KGENOOAVSA-N 537.341 4.632 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1Cl 408954546 RHTCLQACPMAMJS-YBFXNURJSA-N 520.925 4.713 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C 409009261 CPBPWOCNZZRRRE-TURZUDJPSA-N 578.687 4.688 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1 409036504 RMXAOHUGLLCKKV-NULZLWRNSA-N 599.709 4.691 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409220970 IQVZEAPFIFUWCY-WOJGMQOQSA-N 508.918 4.639 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 409270399 FJMZPJMTRIPINJ-BOPFTXTBSA-N 631.810 4.637 10 40 KJCB CC[C@@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br 409398533 BVYWFXOYVPFTMW-DYTQJMLRSA-N 524.209 4.859 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 59595053 MGSXSYNRCSHIIS-VCHYOVAHSA-N 513.978 4.735 10 40 KJCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408536798 SLWLCKOQMAQXEY-KOTFUQRNSA-N 517.881 4.533 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)c(Cl)c1 408552614 KHVVEAPRFZKRCS-PDGQHHTCSA-N 510.333 4.677 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)cc1 408802295 YBIGVIZTBSUUAW-KOEQRZSOSA-N 506.514 4.872 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1OCC(=O)OC 408854112 XZAMLVNRMGWTJW-KPKJPENVSA-N 588.263 4.538 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409061379 WRUIVIPXCXJPLH-HAHDFKILSA-N 530.577 4.775 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1 409063083 GSFSABJCJYPVJA-FPWMYLJGSA-N 683.787 4.879 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)sc(C)c1C 409205254 AVNCLISPDWNUGG-GZTJUZNOSA-N 511.600 4.529 10 40 KJCB 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COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 408937230 IMZSEDTUAWAUJN-RGVLZGJSSA-N 566.364 4.920 10 40 KJCB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)ccc1Cl 409163863 YVUOKPBLVBAALD-SRZZPIQSSA-N 598.973 4.848 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409260968 ZCQAVMQYHWEDKJ-CIAFOILYSA-N 547.995 4.958 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl 409264584 MKAYMSTXDXXSCG-JMIUGGIZSA-N 569.357 4.894 10 40 KJCB O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 97946760 HDBVVABOGJGECA-QQTULTPQSA-N 571.703 4.604 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 101058939 YPRJISSYIVWQSU-AQRUSWPISA-N 525.993 4.690 10 40 KJCB N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103593476 VHMXRTVIASBQHH-CSEHATQYSA-N 510.623 4.711 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)NC1=S 103843654 ROSSLWOKBRFQNT-DEDYPNTBSA-N 551.418 4.866 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)c(C)c1 103860070 NSPHMJLNUBPWTO-CIAFOILYSA-N 536.382 4.618 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 225208412 QAPRSGAALBRTRE-RRPNLBNLSA-N 512.639 4.646 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1 409063084 GSFSABJCJYPVJA-VEOKEAFVSA-N 683.787 4.879 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409226662 QPVVDOIPSPEVAA-LPYMAVHISA-N 608.445 4.849 10 40 KJCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC(C)C 96115630 MMYJHSPZFBTPBY-INIZCTEOSA-N 504.491 4.814 10 40 KJCB biogenic Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)c1C 408527914 GSDHGOKXBRJHFQ-CAPFRKAQSA-N 630.503 4.553 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(I)cc3)C2=O)cc1 408782337 FWEHLSHGUPOSMF-KGENOOAVSA-N 538.341 4.845 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408858792 SMXKRAHWFPBLMH-LPYMAVHISA-N 554.386 4.719 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 408899301 OEUTXXGPKKDKIY-RGVLZGJSSA-N 645.837 4.946 10 40 KJCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2OCc2cccc3ccccc23)C(=O)N1 409055036 HRXKVGFHLOYVTL-UHFFFAOYSA-N 530.172 4.693 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccccc1 409058806 LHQSCMGHHFVVMQ-YFSYDMKQSA-N 549.696 4.926 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC 409146578 UESNVCMUEMZANU-ZDLGFXPLSA-N 599.912 4.908 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])SC2=S)cc1 409193111 BXFLXIMCTOPELK-YDZHTSKRSA-N 551.602 4.737 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409387950 ZAGYUSHKUQDTIR-CPNJWEJPSA-N 505.621 4.564 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F 409389443 ZDFYWKWGIKASCM-ODLFYWEKSA-N 596.409 4.898 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 2082154 OWUAFJFQHOLEBI-GTWFGUSFSA-N 548.064 4.778 10 40 KJCB Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 100762316 LZWZVMGUHPOUIB-HAHDFKILSA-N 578.119 4.977 10 40 KJCB CCN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 102416276 AVDVIBJFKZXFOM-FQEVSTJZSA-N 538.625 4.642 10 40 KJCB Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 103138474 NGICYIGOXXGBMF-GOSISDBHSA-N 524.529 4.830 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 103849855 SEUGVASGBSMOBM-VXLYETTFSA-N 543.320 4.981 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 408532010 HVNRNSKTLXSHMX-DNVWBLEXSA-N 581.459 4.907 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC 408738591 MGSZZQFBCONPJH-HDFSHUSISA-N 571.699 4.613 10 40 KJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(O)c(I)c1 408850959 HBARDLMZYYWCEO-XBXARRHUSA-N 598.043 4.897 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 409060134 TWYJIYINEAAYQX-WYQLEPPDSA-N 565.695 4.544 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409070516 YVGKOGAUVTXWAY-VXLYETTFSA-N 527.316 4.643 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br)Nc1ccccc1 409266311 XVJOKJCRANXYPH-ZDLGFXPLSA-N 615.234 4.601 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(I)cc1 409371709 GJMOFYRTVSNCCP-GIJQJNRQSA-N 684.224 4.738 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409379850 ADEDJBAPDGGEML-STZFKDTASA-N 578.419 4.758 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 409388699 VQSYMKMJQQJEJU-FYJGNVAPSA-N 629.261 4.904 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1C 409408042 ORPPTIJKUGRWHX-MOSHPQCFSA-N 550.409 4.635 10 40 KJCB O=C1NC(=S)N=C(O)/C1=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 707625 ITGRTTNFCUCIPN-UHFFFAOYSA-N 514.170 4.684 10 40 KJCB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 100085408 AWDIUSOBHYKNHF-UHFFFAOYSA-N 528.472 4.561 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408768298 FAKZKMJYDQLOFL-SRZZPIQSSA-N 534.952 4.909 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409086850 BMYPXRGTMQPSPC-LICLKQGHSA-N 598.278 4.632 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1 409164411 ICMUYMRRJCCLRB-UDWIEESQSA-N 501.992 4.648 10 40 KJCB CCN1C(=O)C(=Cc2cc(I)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N(CC)C1=S 409198742 DUTNECQFHIMYMC-UHFFFAOYSA-N 564.445 4.566 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409257897 UGUZDWNJROQQLC-APSNUPSMSA-N 527.849 4.926 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409381094 DXWSTPKLXSTBHC-XDHOZWIPSA-N 584.810 4.795 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccc(Br)cc3)C(=O)N=C2O)cc1 17045976 NIFILQNPTOQUJV-CJLVFECKSA-N 508.372 4.763 10 40 KJCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 97946316 WAFFNGQZMJFKLV-ABCSWIFBSA-N 557.786 4.555 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100329996 BLXYZIAWEGJZRA-ABYGYWHVSA-N 621.664 4.803 10 40 KJCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 408527365 DJRLCSIHNRYXKC-VJSWYXIJSA-N 500.599 4.992 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408812486 LXKBUZYURSNZQB-BUVRLJJBSA-N 528.561 4.734 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408980589 FVONSHPYUKETKS-FQKMCRJQSA-N 650.551 4.675 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br 409044496 VLZYGVYMGHASAB-IZZDOVSWSA-N 528.584 4.848 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409062988 DYPHINALSZUXQZ-LAUBZIAYSA-N 555.700 4.913 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409338576 MKSCHVBATSGGJH-WUXMJOGZSA-N 534.276 4.828 10 40 KJCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 100427508 IUMREHFXLZJHNY-BHIFYINESA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C(=O)O)c1 103869970 JGEUCCKBMIBMDC-VCHYOVAHSA-N 541.343 4.946 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O 225441727 ABRXUZWLNBOGNO-UIOOFZCWSA-N 533.679 4.738 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC 408788261 DFHPPNAFDDXYEL-WOJGMQOQSA-N 501.377 4.920 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408812472 LWPVPMYKLZGCQU-SRZZPIQSSA-N 521.913 4.811 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 408895257 DGIXYRPTCYEJKZ-SRZZPIQSSA-N 596.409 4.898 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1 409105068 GAHIRPPFEYCSSO-DEDYPNTBSA-N 522.026 4.982 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c([N+](=O)[O-])c1 409246446 IMPJZPLYXGLNRF-LPYMAVHISA-N 518.595 4.966 10 40 KJCB COc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=S)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 97968544 APLBSENCNGLFGM-DQRAZIAOSA-N 557.074 4.856 10 40 KJCB Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)c(C)c1 223146289 WDXAIWGPUOWEAD-IXCJQBJRSA-N 503.716 4.719 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 225442565 BQATWOFSESVSED-VSGBNLITSA-N 605.742 4.833 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C)c1 408692788 VKBILXCCNQDJRQ-YBFXNURJSA-N 513.388 4.750 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409085160 YMFXRBDWCSWRBZ-VCHYOVAHSA-N 508.830 4.615 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409218822 LFBJNDWNDPVNAR-RGVLZGJSSA-N 599.383 4.984 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)C1=O 409227369 YAFXCQNGKPIPIU-MTJSOVHGSA-N 524.360 4.986 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592462 MLTASBVCUXQNKI-WPWMEQJKSA-N 519.667 4.639 10 40 KJCB Cc1ccc2nc(Oc3ccccc3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 97946614 IFVSKWYVCGVMHX-KQWNVCNZSA-N 581.679 4.999 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 97957860 XCRGQXUONKPDEG-JNTYBJLZSA-N 547.456 4.800 10 40 KJCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223188938 JQZSFBPCDWDSTJ-VSGBNLITSA-N 503.716 4.801 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1 225208334 QAPRSGAALBRTRE-SVBPBHIXSA-N 512.639 4.646 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(=O)OC(C)C 408602944 PDUZBBCNDBVJLJ-JAIQZWGSSA-N 535.043 4.534 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(C)cc1 408692734 TZWWYIDIJPYMSQ-YBFXNURJSA-N 560.388 4.592 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408895719 FIQANDAXVLVBTM-HMAPJEAMSA-N 629.485 4.989 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409081494 PQCQKJVBBVEYSA-LZYBPNLTSA-N 583.853 4.532 10 40 KJCB CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 409251578 PTPIMLXMUGJBFB-FVHJOOJJSA-N 512.653 4.655 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409263027 LEWMDFKQHAJEDK-UUYOSTAYSA-N 655.445 4.696 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409340315 UYELQLDBEQUKCR-XYGWBWBKSA-N 577.684 4.966 10 40 KJCB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)SC1=S 409345141 KALXMVYGFCSCJH-MTJSOVHGSA-N 514.629 4.680 10 40 KJCB COc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)cc1 409380219 KTIAMJMAUXAVQY-KEBDBYFISA-N 614.836 4.804 10 40 KJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)c2C)cc1 3357746 DQEDBGCMJHOUOM-RUZDIDTESA-N 517.047 4.785 10 40 KJCB N=C1/C(=C/c2ccc(OC(=O)c3cccs3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 4481330 PMUJEBNHJIACJR-FZMXLXIHSA-N 538.408 4.792 10 40 KJCB Cc1cc(NC(=O)CSCC(=O)N(c2cccc(Cl)c2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 8686629 PDMKEQMWYYNDOF-MHZLTWQESA-N 587.098 4.943 10 40 KJCB COc1ccc(CCNC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1OC 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CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCC 97962106 FTSFJAJQZQQTSL-SFQUDFHCSA-N 554.431 4.635 10 40 KJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1Cl 101028604 RJEUUTDLOHTQCJ-HAHDFKILSA-N 536.057 4.759 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 408771489 IIKVBOCAJUDNTB-UDWIEESQSA-N 536.338 4.911 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1 409064888 ISOKMEQGOWSBFD-KGENOOAVSA-N 662.458 4.523 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)NC2=S)c(OC)c1 409101211 AMNVVLQVEXPVBE-YBFXNURJSA-N 526.014 4.605 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)c(OC(C)C)c(OCC)c2)C1=O 409233534 STVAIKZRQRXKQJ-LFIBNONCSA-N 564.376 4.542 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccc(C)cc5)cc4)c3C)C2=O)o1 409401372 SUYGFIZABIITGT-YUMHPJSZSA-N 582.613 4.893 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2399946 XMSITJWVVZOJCN-XBTNQOFVSA-N 517.954 4.710 10 40 KJCB CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)c(C(F)(F)F)oc23)CC1 19790392 PTCZQZLXOVPASA-UHFFFAOYSA-N 513.310 4.820 10 40 KJCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1OC 27533730 BNOVRKJLZLTHAS-PXLXIMEGSA-N 506.605 4.829 10 40 KJCB CCC1=NN2C(=N)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1 100267292 QPBFRNJIVREKEU-FWDDTQSRSA-N 546.390 4.908 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 224125168 KZKKUAZVUJHMKV-UHFFFAOYSA-N 516.063 4.707 10 40 KJCB CCOc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C(=O)NC2=S)c1 408541326 FYEULLJYGBRRRB-MFKUBSTISA-N 539.613 4.706 10 40 KJCB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408586476 AIYWUYCKEWLFJY-SFHVURJKSA-N 515.031 4.911 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408812520 LZQMXCISKRAXRA-DEDYPNTBSA-N 522.311 4.603 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc(C)c1 408872236 BQAZJGKLMIVELZ-WQRHYEAKSA-N 586.357 4.993 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409046143 JAKIALYLRUKWBO-CIAFOILYSA-N 643.409 4.821 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1C 409253304 WVMUNSUUQKEYLV-YDZHTSKRSA-N 503.942 4.641 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409263930 JMLXXUAINHAIRV-NHDPSOOVSA-N 578.965 4.558 10 40 KJCB O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1 2959276 DIVPXQQYIMKBSW-ZHZULCJRSA-N 512.590 4.764 10 40 KJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(I)c1 8765632 BFJKWIHCOJJLPZ-YBEGLDIGSA-N 512.369 4.660 10 40 KJCB CCOc1ccc(S(=O)(=O)Nc2cc([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)cc1 11852733 LWXSUXIFMYKMQB-NRFANRHFSA-N 539.528 4.912 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OC 97968968 MDJMOYSGPDHNGX-HZHRSRAPSA-N 536.631 4.838 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 98046199 LHTGHUPYSKSIPE-ASSGYOTOSA-N 529.065 4.593 10 40 KJCB COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(=O)n(Cc5ccc(Cl)cc5)c(=S)[nH]c4c3)CC2)cc1 102753617 YUKZUFQYVUPZJN-UHFFFAOYSA-N 578.138 4.711 10 40 KJCB COc1cc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 102885120 FDWXBXCYVDUYBC-PKTNWEFCSA-N 567.594 4.660 10 40 KJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 103860401 AOQRGODPSVLFMH-DEDYPNTBSA-N 537.391 4.558 10 40 KJCB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 113833261 VRGPQTJUQLJFJI-XSFVSMFZSA-N 534.637 4.905 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225400414 VFNYTNBYKDETLY-SVBPBHIXSA-N 592.703 4.955 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O 225432151 OBHKOHUFTVSVID-RRPNLBNLSA-N 562.721 4.750 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\SC(=S)NC2=O)cc1 408530513 MBIPPIKVOIGKDI-AUWJEWJLSA-N 549.287 4.777 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C2=O)cc1 408542683 NAXRCLSPPZSLSI-PCLIKHOPSA-N 507.546 4.705 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(I)c1 408911828 DQCJIOLXEVYASB-KEBDBYFISA-N 529.309 4.504 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409045550 PYERSNUQBPYUJU-VEOKEAFVSA-N 657.789 4.773 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409108934 YWTFXXVEPSKYNS-WHNPURCTSA-N 549.140 4.666 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1OC 409145772 POLKQKBQTNAMQS-QGMBQPNBSA-N 584.501 4.757 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 409186187 YILPHKUYPHDILF-IWIPYMOSSA-N 642.492 4.774 10 40 KJCB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1C 409253394 FXQQDBDWPCHVNS-GRSHGNNSSA-N 554.386 5.000 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 101001473 QMCTWARCESIKCK-NKFKGCMQSA-N 550.706 4.893 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCC(=O)Nc1ccccc1 101602882 KYBQMFOQMJOHOT-DEDYPNTBSA-N 539.466 4.759 10 40 KJCB O=C1C[C@@H](c2ccccc2OC(F)(F)F)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108449659 CSKVZCXWRZXSEF-LBPRGKRZSA-N 516.380 4.622 10 40 KJCB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 208353865 LRQCYSUNVKKGCI-PKYOQBLNSA-N 589.689 4.752 10 40 KJCB COc1cccc(NC(=O)CC(=O)N2N=C(C)[C@@H](N=Nc3ccc(S(=O)(=O)c4ccc(N=N[C@H]5C(=O)N(C(=O)CC(=O)Nc6cccc(OC)c6)N=C5C)cc4)cc3)C2=O)c1 263602198 LZRQRRSLSVSMLZ-XPSQVAKYSA-N 848.855 4.988 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OCC 408764489 UBINROOBURXKJL-OQLLNIDSSA-N 552.219 4.984 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)sc2c1CCCC2 408767092 ITWGJOQJNYZKNO-KGENOOAVSA-N 533.675 4.961 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408839558 ANYAXTYIZBIWEM-ALUWMOPFSA-N 680.577 4.684 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(C)C)C2=O)ccc1Br 408899300 OEQLFAAWXLEFHF-YBEGLDIGSA-N 522.193 4.974 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 408968468 ZCVZDSPDZUSEMA-UDWIEESQSA-N 525.989 4.895 10 40 KJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 409009260 CPATWRUYBGXZSD-SRZZPIQSSA-N 548.423 4.560 10 40 KJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S 409199565 PBWRHRVMXVIRSV-NTUHNPAUSA-N 582.226 4.557 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1 409219715 UEUIRTQRFHZLHT-LPYMAVHISA-N 503.942 4.641 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409260321 OPPZGBQAGDLXLV-ODLFYWEKSA-N 647.878 4.802 10 40 KJCB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)sc2c1CCCC2 6144420 SCUKSXPNAKBVMB-GVAUOCQISA-N 531.634 4.531 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 9235595 ADKFITCJOJSAMQ-RGVLZGJSSA-N 512.927 4.982 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 105501243 WRDWTYRWIZZXEZ-YWFGPFJPSA-N 568.611 4.648 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 225216228 LYQKOVNNICLPAB-VSGBNLITSA-N 527.650 4.957 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1NS(C)(=O)=O 225481682 GXGYMPWHEBSNBI-RRPNLBNLSA-N 591.715 4.745 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C(=O)/C1=C/NC(=O)c1ccccc1 408531651 LAGAMBLDMIJRLQ-RCCKNPSSSA-N 548.437 4.814 10 40 KJCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)c(CN4C(=O)c5ccccc5C4=O)c3)C2=O)c(C)c1 408535621 UAVGZXZTHSGNMQ-LPYMAVHISA-N 542.979 4.640 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccc(Br)cc2)c1 408806489 NJBOIYQLOOXJEF-SRZZPIQSSA-N 552.337 4.611 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408893512 GPWQLRFRHBIQNN-KGENOOAVSA-N 555.406 4.500 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1C 409238180 WBGQEYFBQRJIHN-CIAFOILYSA-N 522.026 4.982 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1C 409250105 LGPZBIMUKSWWBF-BKUYFWCQSA-N 548.393 4.750 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409259918 HPRFODAPPHUPSW-YQODDJSKSA-N 519.044 4.746 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1Oc1ccc([N+](=O)[O-])cn1 409398812 CZBLQUYDFVCTKS-DHDCSXOGSA-N 545.733 4.668 10 40 KJCB CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)Nc4ccc(C(F)(F)F)nc4)c4ccccc34)[C@H]21 1565524247 GXYMXQFJAYEAIB-VWLOTQADSA-N 505.500 4.841 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C 887375 NPOYZARQFUXKOK-NDEPHWFRSA-N 557.724 4.918 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c3c(C)cc(C)cc32)S1 8431803 HZUZUHBFNVDGQZ-IAGOWNOFSA-N 628.794 4.680 10 40 KJCB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 8830099 PJWHGLHNJDQFJG-OYUWMTPXSA-N 538.600 4.968 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 97958783 ACAHNNUSALZJLW-TVRHKFALSA-N 577.482 4.953 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 100701569 YMISMCWMCYCCEI-HBMCJLEFSA-N 536.765 4.798 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccco1 408533753 KQSZBOARFMKSSA-WJDWOHSUSA-N 515.703 4.581 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)ccc1Br 408764017 VOQQUYVBUPDGES-WOJGMQOQSA-N 510.300 4.901 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408813243 MPFJWGFEMKPMKY-KEBDBYFISA-N 611.361 4.910 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Cc1ccccc1Br 408877497 RXGJWFHNRQBZPF-HYARGMPZSA-N 563.404 4.892 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(OCC)c3)C2=O)cc1 408878169 XIDFJFGXIKQSOS-LFVJCYFKSA-N 516.525 4.658 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 408934430 APEQWXMASGURIV-RGVLZGJSSA-N 612.376 4.552 10 40 KJCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1 408945595 WXXRKGUFPIOLGN-PXLXIMEGSA-N 539.407 4.967 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)S1 409086473 ZSBCYCQFIBCSIF-OVCLIPMQSA-N 505.788 4.521 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409091370 PVWRIQBKMMFPRL-GZTJUZNOSA-N 508.830 4.615 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409102668 VTVPMWQPPJRNLP-NBQDTTAVSA-N 598.769 4.837 10 40 KJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 409236829 HILSTYZAESPKIC-UNOMPAQXSA-N 511.401 4.927 10 40 KJCB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccccc3C(F)(F)F)=NC2=O)c2cc(Br)ccc21 2700821 UTTYCFRUUYFBIM-NXVVXOECSA-N 510.291 4.814 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 8451805 MZMHIUXJAZRUAV-LPYMAVHISA-N 554.386 4.719 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100230204 MKZNAKUXXBJLSC-FYJGNVAPSA-N 599.459 4.899 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(OC)cc1Cl 408833073 RLFPZYITNPCYHH-UDWIEESQSA-N 506.942 4.911 10 40 KJCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 408899676 PTZXWBSIEJXKIS-OEAKJJBVSA-N 512.953 4.908 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 408939535 MXRCAOPWYNUHHX-UDWIEESQSA-N 521.913 4.892 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 409000316 XTGOANGYXNCDJE-XHPQRKPJSA-N 556.615 4.637 10 40 KJCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409010696 DBJQXKCHYJYEHA-JVVDOCDTSA-N 524.380 4.687 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O 409221739 AOCUWOUIFPZLJW-CPNJWEJPSA-N 524.360 4.986 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 409253936 CHVMIJMJPWMKAI-CIAFOILYSA-N 655.445 4.609 10 40 KJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)c(OC)c1 1106743 SODPEFMTCVSFJC-GRSHGNNSSA-N 523.929 4.970 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 8872591 ROZPPLVEXCXUTR-XHPQRKPJSA-N 567.740 4.727 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 100268521 APJDQRPSAPENNT-NMVMGKAGSA-N 548.543 4.659 10 40 KJCB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1 103131837 BLRMEKRBVNZYBK-UHFFFAOYSA-N 549.552 4.650 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 408886072 HTXDNRIOZPNIJI-RGVLZGJSSA-N 555.356 4.938 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408895941 GEWILUWSCDOSQQ-VXLYETTFSA-N 558.349 4.825 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 409055220 KNRHTZNYHFHFTQ-BFOKUZPWSA-N 567.711 4.869 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)c1 409268480 UHVSCZOAKLCXDG-HYARGMPZSA-N 548.393 4.750 10 40 KJCB CCOC(=O)c1sc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c(C(=O)OCC)c1C 100507530 QHEVPYFPSHLKEX-LFIBNONCSA-N 520.405 4.891 10 40 KJCB Cn1cnnc1Sc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 103761663 JMARREBQVPSSJI-UHFFFAOYSA-N 542.602 4.623 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408526193 AWWYPKMCTCABPX-HAVVHWLPSA-N 566.662 4.915 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(I)c3)C2=O)cc1 408783729 PWMQGGZIFCPGCO-UDWIEESQSA-N 556.331 4.984 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1 408890169 PBANOKCJOOAFMF-OEAKJJBVSA-N 518.953 4.989 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1 408931884 ROFAGVVYGWCOOO-UCQKPKSFSA-N 503.580 4.864 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@@H](c3cc(OC)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C 409018321 KUZMIURHDZFIQM-OCDQFKQQSA-N 643.762 4.707 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 409105422 JDQXVZGKUZOFFI-GXDHUFHOSA-N 502.266 4.837 10 40 KJCB Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O 409338920 CBKBYVSNKGQCQN-DEDYPNTBSA-N 547.418 4.875 10 40 KJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 97947396 YLATUQBRCMUVEA-QJOMJCCJSA-N 581.679 4.999 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C 225263205 AWGQOUCZNPLJRY-NSOVKSMOSA-N 526.666 4.955 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccco3)C2=O)cc1 408537819 XKERHKQJMWVLET-YBEGLDIGSA-N 590.180 4.699 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1 408801469 AWBMNLJTFSYMAA-RGVLZGJSSA-N 646.821 4.985 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408939997 NHVQNDGNVZUCMQ-VXLYETTFSA-N 570.327 4.750 10 40 KJCB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n21 408951710 NIGUQWOVMAVQPU-DKOMQPSQSA-N 649.405 4.786 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c2=O)=N1 409022110 JMVAJTDEHKITMS-NBQDTTAVSA-N 612.752 4.781 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1C 409266937 SIXBWXLFDWUPEO-MOSHPQCFSA-N 520.010 4.806 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 409382961 SFCACSNUUQGSSM-UCQKPKSFSA-N 533.968 4.649 10 40 KJCB COc1cc([C@H](Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)N(C)C)cc(OC)c1OC 604404964 MUTXIRIDCGEKTH-NRFANRHFSA-N 544.604 4.559 10 40 KJCB biogenic COc1ccc([C@H]2O[C@@H](c3ccc(OC)c(O)c3O)[C@H](C(=O)c3ccc(O)cc3)[C@H]2C(=O)c2ccc(O)cc2)c(O)c1O 2332242438 RLHSHDIAEPWEMW-NHQBZNGBSA-N 588.565 4.748 10 40 KJCB COC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 2120724 QXJGSFHPCWZNOM-LCQSEVKBSA-N 569.683 4.637 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 9892466 RRTZILAYNHOMEQ-XDHOZWIPSA-N 507.340 4.703 10 40 KJCB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1 102949303 RDCUOKHJQSJBMH-GYCJOSAFSA-N 585.542 4.786 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O 225472425 YRJMIXKCWYZTQC-JSOSNVBQSA-N 632.812 4.883 10 40 KJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3ccc(/C=C/c4nc5ccccc5[nH]4)cc3)c2c1 245241142 XRPGAYSKLWNGNM-YBIDPILASA-N 630.638 4.748 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 408550361 DCTAWQGACIZLNE-ODLFYWEKSA-N 555.330 4.586 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1cccc2ccccc12 408915827 ZSJSWPNELUUTKU-YBFXNURJSA-N 572.424 4.679 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1C 409259374 YSRQFDGFNCICPK-MOSHPQCFSA-N 503.942 4.641 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1 409260755 VUIHMNDUFJQRDI-GRSHGNNSSA-N 554.386 5.000 10 40 KJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc5c(c4)C(=O)N(C(C)C)C5=O)o3)C2=O)cc1 8497054 QFZPCMOMHQWSSS-HAHDFKILSA-N 511.534 4.934 10 40 KJCB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 101007266 DQRIKPVYFGTTCW-ZHZULCJRSA-N 531.706 4.740 10 40 KJCB CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 103001702 QBRSUGNGRHYXKU-NWFVXXGESA-N 511.789 4.672 10 40 KJCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(Br)cc2C)C1=O 408537125 ZGHAEWXPYGRNFQ-XNTDXEJSSA-N 507.182 4.661 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 408766671 DRMUEEWQNQZBDN-DJKKODMXSA-N 612.376 4.582 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)C2=O)cc1 408888954 CZWVTYFUJDDALO-UDWIEESQSA-N 525.330 4.842 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1 408889211 ATPXQSFLCLXFBP-HYARGMPZSA-N 522.916 4.901 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c(OC)c1 408975644 BSCZQPVNSSBZMS-PRLWALMFSA-N 633.568 4.720 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409223043 FDMNJEIYHKGYFY-SRZZPIQSSA-N 623.416 4.748 10 40 KJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 409253376 BBCIZUOYMKSFAQ-CFRMEGHHSA-N 534.615 4.843 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1 409342599 FSLLLKPBRKUOON-HAVVHWLPSA-N 506.605 4.699 10 40 KJCB COc1cc(OC)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025113 QKLLLLYGDBERAA-MUUNZHRXSA-N 533.625 4.580 10 40 KJCB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100729468 GCTWUVKVBXSFMU-UWZLSMKUSA-N 562.585 4.675 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1OC 102846644 DMVOSNIPAOFXGM-HMAPJEAMSA-N 529.549 4.616 10 40 KJCB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 103922570 DMVJERAUHXRVBL-XHPQRKPJSA-N 572.622 4.871 10 40 KJCB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)ccc3O)C2=O)SC1=S)Nc1cc(Cl)ccc1O 150444777 GZRISRYWCGNVPR-FMQUCBEESA-N 657.604 4.694 10 40 KJCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1 150449179 AXLUOGYTDCVJMO-QFFDILLMSA-N 672.826 4.518 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408892547 BXVFUGABZXNRQH-KGENOOAVSA-N 569.433 4.808 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 408991843 YYTFLHTVMFSODH-WQNUKSJVSA-N 587.723 4.656 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409010709 DDMIVUOFUJVLHM-PCLIKHOPSA-N 578.021 4.854 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCc1ccc(C(=O)O)cc1 409069361 KNUBHVGIJFMWSY-VXLYETTFSA-N 616.218 4.861 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 409147866 ZSGXCTBBNFNSKM-UKWGHVSLSA-N 565.113 4.739 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)ccc1Br 409213750 SYIAAHLFZYGSFK-WSDLNYQXSA-N 525.378 4.836 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409253134 YTWGKNHROXSHSU-VGOFMYFVSA-N 529.334 4.707 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409259091 XJKOVRXORCEPRY-BOPFTXTBSA-N 600.878 4.960 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409259305 YDTSKSIWOYJKKK-WQRHYEAKSA-N 614.836 4.891 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1 409381036 DETLIVZTOLEOON-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 97947926 PQUCHGUJQDISOQ-XPWALMASSA-N 546.373 4.543 10 40 KJCB CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 164119553 RAGOYPUPXAKGKH-KTRXSZHWSA-N 700.791 4.573 10 40 KJCB in-vitro COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])c1 223314358 QPYAQVSEGGCOJE-PNTFMKQHSA-N 507.616 4.557 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)ccc1OC 225296962 JSELTALPESXLGB-WDYNHAJCSA-N 585.686 4.958 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 408800069 KBPUTEYECDYMNN-BIWBSIMWSA-N 529.637 4.653 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408898162 VHRBAAFVABIWEC-JWGURIENSA-N 530.533 4.721 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409045278 FYSCFGMQBDYZED-NTUHNPAUSA-N 514.557 4.540 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409196815 RFCPZZYPXPIMLR-MTJSOVHGSA-N 537.034 4.521 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 409271462 LGFSKPJNAHCWSB-CIAFOILYSA-N 554.386 4.994 10 40 KJCB COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC 409349234 VBEVLUWDJHMPHU-GIJQJNRQSA-N 508.415 4.724 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc(C)c1 409370965 ATVPLJSLYVDSFQ-VXLYETTFSA-N 525.355 4.600 10 40 KJCB CCOC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2c(C)n(C)n(-c4ccccc4)c2=O)CCCC3)cc1 3324412 RPMGRYKVRIRUTO-UHFFFAOYSA-N 594.715 4.655 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 32193826 NTERBMWOSFXHCV-PCLIKHOPSA-N 527.577 4.535 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100206157 FHQPWPYBSJFTRL-LICLKQGHSA-N 538.856 4.624 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1OC 101005583 KFJICLMRNNWZMO-UYRXBGFRSA-N 568.458 4.929 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 101775135 QQBCVPATVOKLRD-FYJGNVAPSA-N 522.311 4.603 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)c1 103860362 RXMKQCWJVRXAFZ-HYARGMPZSA-N 552.450 4.865 10 40 KJCB Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223146744 ITVDJCOJTDYNBB-UIOOFZCWSA-N 510.107 4.756 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 224946025 AMQINAGBEKOPQJ-UHFFFAOYSA-N 516.063 4.707 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1NS(C)(=O)=O 225431984 QPMZTHKAAKTWSY-IZZNHLLZSA-N 562.721 4.750 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408808510 MHCYUXSZHLTDJD-CIAFOILYSA-N 598.393 4.862 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408850700 CQRJAHASDZQLDS-USDTVRPUSA-N 600.697 4.901 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)c(C)c1 408932302 BYRRTHJXHDJWSJ-FYJGNVAPSA-N 550.409 4.926 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 408983028 JSXHFYZTARBZFF-NHDPSOOVSA-N 505.958 4.817 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1 408983986 LNQBIUUVUFLSKC-CSJROMOCSA-N 511.647 4.514 10 40 KJCB COc1c(I)cc(I)cc1/C=C1\SC(=S)N(CC(C)C)C1=O 409040038 XKZMOTQIWURJET-XGICHPGQSA-N 559.232 4.762 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409227948 XXFDOKKYULULBL-KEBDBYFISA-N 645.837 4.946 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 9374841 FOERGFMLNQWMKD-RAOITJNQSA-N 518.708 4.929 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 163696665 SRZGRWZNZVPJMH-ZGOFBEGVSA-N 653.542 4.819 10 40 KJCB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1cc2c(cc1N(C)C)n(C)c(=O)n2C 408537410 DSSLNIVTVRRLHY-RAXLEYEMSA-N 507.809 4.622 10 40 KJCB COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I 408758424 JTAUFOBBWKHUNQ-WUXMJOGZSA-N 667.035 4.642 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1 408814384 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COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)cc1OC(C)C 96115631 MMYJHSPZFBTPBY-MRXNPFEDSA-N 504.491 4.814 10 40 KJCB biogenic CCN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 100023118 ZXMXABURTXPDGY-HKWRFOASSA-N 533.369 4.957 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1cccc(Cl)c1 100343063 FRCGGCDFLHMGIH-VXLYETTFSA-N 526.910 4.671 10 40 KJCB CNc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408742137 POKRAMJDQMVUMV-RIYZIHGNSA-N 543.146 4.744 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCCC)c(OC)c3)C2=O)cc1 408898744 MKCGJAXJAOUYRP-UYRXBGFRSA-N 578.403 4.934 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1OCC 408935747 NNGWVIVRXVCYRF-OYBDOCOOSA-N 592.117 4.876 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409042324 MJCIHYWFLOVQKE-CIAFOILYSA-N 594.418 4.546 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 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COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1 408530553 MITYBEONCMCRHE-JLPGSUDCSA-N 513.546 4.938 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br 408722918 OJBRRLBDLMHNDV-WUXMJOGZSA-N 530.625 4.705 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408742949 UIBNABUTDXFRBB-KEBDBYFISA-N 525.384 4.596 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 408808653 JUDLDEGOUDBOOB-CIAFOILYSA-N 579.949 4.679 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)c(Cl)c4)c3C)C2=O)cc1 408984375 QGJIGQDNAWRRQO-XKZIYDEJSA-N 505.958 4.763 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 409089922 PEECQKOYGUWLIB-RAWKODRKSA-N 568.743 4.828 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409268840 BIXSQBNMANLOIN-UUYOSTAYSA-N 563.994 4.745 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 409326868 FPRLTAASPIEVAP-UCQKPKSFSA-N 530.606 4.965 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2cccc(C(=O)O)c2)c(Br)c1 409399653 LJOLTXMEGFYPGT-ZDLGFXPLSA-N 572.209 4.950 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1cccc(Cl)c1)OC21C(=O)c2ccccc2C1=O 100434312 QLYVJQOGLHGYQB-NJYVYQBISA-N 536.765 4.798 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 100618119 QDYRAQMQXLCNMY-HVDVVURSSA-N 576.722 4.867 10 40 KJCB CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)N(C)C1=S 103856250 MIOCHYSOUFVXNB-UHFFFAOYSA-N 605.679 4.885 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C2=O)cc1 408802032 YDSZVFSEQMLDNV-UDWIEESQSA-N 553.340 4.620 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OC(C)C 408803371 OCIFZDSESYOYQJ-NTEUORMPSA-N 554.768 4.797 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409260106 KUZGNGAQFYHZPI-MFOYZWKCSA-N 585.356 4.594 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1[N+](=O)[O-] 409333395 SFTOHMGOPGQPFU-MTJSOVHGSA-N 590.060 4.871 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409384694 FKHINMVHBJAVKE-BKUYFWCQSA-N 584.810 4.795 10 40 KJCB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)C2=O)o1 409387117 TZOKAJNXHSXHNB-WSDLNYQXSA-N 508.552 4.805 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 409388060 TWKQVHXZWZFCSL-XDHOZWIPSA-N 554.386 4.994 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)o1 409393827 SNSJLNYABSIVPC-LPYMAVHISA-N 513.575 4.517 10 40 KJCB CN1/C(=C\C=c2/s/c(=C3\SC(=S)N(N)C3=O)n(-c3ccccc3)c2=O)C(C)(C)c2cc(-c3ccccc3)ccc21 100545943 BFERXDHIMVOVBS-JPDHXNRCSA-N 582.776 4.500 10 40 KJCB CCOCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 100894039 DMGWGPILHAVUNU-MRCUWXFGSA-N 549.596 4.689 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc(I)c1OC 408819884 YTTPSGUXDSJAAZ-FYJGNVAPSA-N 598.393 4.944 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1cccc(Cl)c1 408935603 DEDBUMANAYTRDU-VXLYETTFSA-N 632.794 4.897 10 40 KJCB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccccc1N1CCOCC1 409197872 QQDGDWNWWMGFML-UCQKPKSFSA-N 568.007 4.810 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409345189 KFXAVTJMWGKPIA-LICLKQGHSA-N 555.415 4.566 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC 1416653 XUOUQSSJBHBQBL-SFQUDFHCSA-N 507.431 4.793 10 40 KJCB Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1 1817825 DARQFQMLPDKXCE-HMAPJEAMSA-N 554.141 4.840 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC 27549747 AUQLAVXCFIHMCO-WONLVIOOSA-N 508.600 4.827 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100269789 ZWSWAFPYZCAZBD-ZHZULCJRSA-N 528.589 4.777 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105499540 XKKYUSFXVDLJRL-BIWBSIMWSA-N 606.100 4.564 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 105516304 QTSODSFWDQFQDI-QTTRZTASSA-N 606.542 4.977 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223144337 QCMJXVBVLQSXDG-VMPREFPWSA-N 532.758 4.640 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 223542402 FBYLQFHNACCWLZ-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408781697 FHJFFSCNUDVOIQ-VXLYETTFSA-N 632.794 4.897 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1F 408899232 OGLMWHUUGPGNDA-ATVHPVEESA-N 513.294 4.973 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)c(I)c3)C2=O)cc1 408985466 WZHPZVHFLPZNMN-JAIQZWGSSA-N 596.377 4.828 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1O[C@H](C)C(=O)O 409011734 HKMHVWNDAQDWBH-FPLFNBKTSA-N 544.604 4.681 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)C1=O 409214279 XEXDYUDMOIDDHC-XDHOZWIPSA-N 522.355 4.530 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2)cc1 409221789 ALXDCFGKQPLIGT-STZFKDTASA-N 503.942 4.641 10 40 KJCB CCOc1c(I)cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 409349545 PYDQGJDITQXHIN-CAOOACKPSA-N 541.388 4.833 10 40 KJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)c1 409384342 BLAYNGWDNLUEHD-BKUYFWCQSA-N 532.622 4.572 10 40 KJCB O=C(NC1CCCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 905918 UIVPNOKQZYTSME-SSEXGKCCSA-N 572.735 4.548 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 100414635 OFJOQMMYCMPPEC-BHIFYINESA-N 506.341 4.997 10 40 KJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223191088 FDBPEJIKYJSIQL-RRPNLBNLSA-N 540.133 4.846 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c([N+](=O)[O-])c1 225430816 SRZDOGXOVNRLOG-NSOVKSMOSA-N 622.729 4.963 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 225507864 KZKRZXYMAYNXHC-VSGBNLITSA-N 525.634 4.829 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408786273 NVNAICAYFYXGLM-FYJGNVAPSA-N 536.338 4.911 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408787972 BOPFZKFYWLAHQS-ULJHMMPZSA-N 512.562 4.586 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 408859863 ZZXGALILLZCYLK-UDWIEESQSA-N 581.444 4.875 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)C2=O)c1 408901615 ZDORBEWBBUTFKH-CIAFOILYSA-N 504.926 4.900 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)c(C)c1 408955368 YACLRNOFSTWFIR-RGVLZGJSSA-N 507.999 4.894 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408986506 MKFUOJHDVZJNIV-PKYOQBLNSA-N 616.696 4.521 10 40 KJCB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1C 409126500 BNHIOELFFPQFQX-UCQKPKSFSA-N 536.635 4.726 10 40 KJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br 409247845 OIOXFSWYAPWWQW-NTEUORMPSA-N 507.768 4.875 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409373004 RXNJBPMHVGOIDV-MKMNVTDBSA-N 515.356 4.554 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409382624 VMZXWWGSEFKNQH-STZFKDTASA-N 531.540 4.525 10 40 KJCB CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 28639340 RAGOYPUPXAKGKH-IGDKMDNBSA-N 700.791 4.573 10 40 KJCB fda 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CCOc1ccc(N(Cc2ccc(C(=O)NCc3ccc(N(CC)CC)cc3)cc2)S(C)(=O)=O)cc1 224699180 YYJOVPLHMUVBFF-UHFFFAOYSA-N 509.672 4.828 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1 409046699 LHDLZJFXZKSYMN-FYJGNVAPSA-N 594.418 4.540 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409262321 HSHZQPWONJJGIM-NDENLUEZSA-N 550.036 4.814 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 409376100 UIRZVQPZBBEQPA-PCLIKHOPSA-N 522.630 4.982 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1Cl 18249394 QGULSHDXKFCOIL-BHIFYINESA-N 506.341 4.997 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O 225416959 XPFPLYRFBKUXLP-JSOSNVBQSA-N 632.812 4.883 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408718961 YIHHKXDINZXJNI-GTWFGUSFSA-N 639.515 4.729 10 40 KJCB 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409274423 WUGFUUPXFYGIEG-NVMNQCDNSA-N 524.824 4.852 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409334266 WLYWFRZXUATGBQ-MFOYZWKCSA-N 553.412 4.621 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)c(Cl)c1)[C@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O 100414003 NUNQACXOXMZKRD-NJYVYQBISA-N 554.755 4.937 10 40 KJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\N1CCN(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)CC1 100931101 GHQWPMOLRWIUBI-MPKYGIEOSA-N 612.326 4.742 10 40 KJCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)c(Cl)c4)cc3)CC2)cc1 408555639 GRNXIPPNDKRZMA-UHFFFAOYSA-N 550.464 4.530 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408780410 CHZSGCUEJNTJHQ-FYJGNVAPSA-N 521.913 4.892 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408805099 DPVIMWUKSGCDTO-CIAFOILYSA-N 551.939 4.901 10 40 KJCB COc1cc(C(=O)c2cc(Cl)ccc2N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc(OC)c1OC 2133752 NJYJRHNVNINPMH-RUZDIDTESA-N 513.930 4.895 10 40 KJCB biogenic CCN1C(=O)/C(=C\c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778071 JIXGFOMJWDWZCK-USHMODERSA-N 575.662 4.787 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59426674 FNHQERHOMJLBQD-WOJGMQOQSA-N 508.830 4.615 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccc(Br)cc2)c2ccccc12 100957613 CDQHGLBBXZYABV-HMAPJEAMSA-N 534.366 4.738 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225518787 TWLPZWUYBFRITR-WUFINQPMSA-N 539.661 4.887 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)NC2=S)cc1 408759581 HKPQJVYSGVWKMJ-MOSHPQCFSA-N 523.408 4.868 10 40 KJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)c1 408773316 UVLMDIZEJKIFDI-CIAFOILYSA-N 612.376 4.634 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408946809 PZFRPDLIYVMWAW-VXLYETTFSA-N 514.390 4.930 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)C2=O)cc1 409260931 YQRFGHCLTHFSAC-OEAKJJBVSA-N 533.968 4.731 10 40 KJCB CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 100357166 OERIDTFZSRJGSQ-NDEPHWFRSA-N 545.636 4.740 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 226324243 IEBQUBUMHBYULD-NJDAHSKKSA-N 583.765 4.640 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1 408744097 WQUACGVWVAVTRL-PDGQHHTCSA-N 512.349 4.854 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(F)cc1 408870365 URYVIIVFTHQSKO-YVLHZVERSA-N 543.320 4.981 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1 408941323 PENBSYIYRDCHHK-SRZZPIQSSA-N 534.952 4.909 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409102443 SXCYPCBJTBGEDR-ABBNRAPFSA-N 567.155 4.612 10 40 KJCB CCOc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 409179388 MEMYMUQOXOHNEN-LFVJCYFKSA-N 563.657 4.658 10 40 KJCB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1nc(-c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cs1 3354550 WTAOGSOUNOBLFR-AREMUKBSSA-N 578.716 4.719 10 40 KJCB COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 57015917 JWWSIDBFOPYJAT-UUOWRZLLSA-N 506.093 4.640 10 40 KJCB CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1cccc(Br)c1 97964019 VJBNFYILMHWWER-YJZCZVOBSA-N 604.555 4.623 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 101005871 UFIVHQNSYKNKJS-AQTBWJFISA-N 519.442 4.856 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O 225493937 AMKZUQPUUQPRSL-UIOOFZCWSA-N 533.679 4.738 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Br)c3O)C2=O)ccc1Br 408751688 BQISXTLMYJQRLZ-WUXMJOGZSA-N 514.557 4.545 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C2=O)ccc1Br 408759225 ABFDTQUIKMCCQI-RGVLZGJSSA-N 535.350 4.732 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(Cl)c1 408810993 JWCAXQDJMNTMTJ-CIAFOILYSA-N 521.913 4.892 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 408902001 DKSNSRRHHDSQIS-RGVLZGJSSA-N 538.915 4.821 10 40 KJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409098188 OEKZTPTVSJUUGU-NHDPSOOVSA-N 501.992 4.632 10 40 KJCB CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025213 KUSPCGXXGVEXFW-AREMUKBSSA-N 503.599 4.969 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101111401 ZDJRCHUAYXKXSV-PCCBWWKXSA-N 510.304 4.828 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OCC(=O)NC1CCCCC1 101572471 JEIRPGQNHVMZKC-CIAFOILYSA-N 570.440 4.790 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccccc1 105500813 GJHPLMYBMFKRRX-IMDFURJVSA-N 524.602 4.919 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 112245748 WBFMMIMEPGTQKZ-YBFXNURJSA-N 613.364 4.762 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408740279 FHOHRISFTLUVGG-RGVLZGJSSA-N 552.337 4.611 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408850524 BJKNSTBIYAINOA-FYJGNVAPSA-N 577.442 4.951 10 40 KJCB CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408901311 XDTJGIUPRVDZNH-GFQQVXNGSA-N 554.768 4.797 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1 409253822 GRHDTTKOESSCHT-VCHYOVAHSA-N 528.323 4.816 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 409265731 OHBDYMUHOIPUII-WSDLNYQXSA-N 563.994 4.658 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccccc1 409338060 CGEGKGQCSNDBFX-YVLHZVERSA-N 555.415 4.555 10 40 KJCB Cc1c(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 409350116 SNFIQSMRYWMZKL-FMCGGJTJSA-N 576.681 4.925 10 40 KJCB N=C1/C(=C/c2cc(Cl)ccc2OCCOCCOc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 1771038 GYUPXYFMWMFIOL-POVQDFBCSA-N 538.935 4.996 10 40 KJCB CCOC(=O)[C@H](C(C)=O)c1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1NS(=O)(=O)c1ccccc1 6250885 GRBLAFMRDKOAHM-AREMUKBSSA-N 566.657 4.677 10 40 KJCB CCCc1nn2c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 41074389 PMAXLISADIYOLB-WKZPCTCASA-N 503.535 4.900 10 40 KJCB Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(=O)n(-c2ccccc2)n1C 101007027 VEAAPFGIINZTQZ-KQWNVCNZSA-N 564.689 4.613 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 102674136 ZRPGTTSPJMYSLQ-ZRBLBEILSA-N 530.374 4.707 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 169617134 ISIBLZKQBMQDTC-NJDAHSKKSA-N 581.216 4.907 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC 225289989 PJHGHPZBTDHJRE-IZLXSDGUSA-N 542.665 4.655 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408828552 HSISSNRFASEIHX-GTWFGUSFSA-N 575.712 4.746 10 40 KJCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408935573 DCYKKRLEMYLDHP-FYJGNVAPSA-N 524.982 4.867 10 40 KJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 408960150 CNGMCRZIKBZWOO-WOJGMQOQSA-N 511.353 4.547 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 408991810 YVQLICOQEOWRPH-JLHDDXNDSA-N 568.743 4.889 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409266127 JTZOOQDEMITXNR-YDZHTSKRSA-N 669.472 4.999 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409337974 ANCLEBMZQVBQCO-UNOMPAQXSA-N 551.484 4.871 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 409381461 HBJDPQCALQYFMW-LPYMAVHISA-N 624.444 4.549 10 40 KJCB CC(C)N1CCCc2cc(CN3CCC4(CCCCNC(=O)c5ccccc5OCCNC4=O)CC3)ccc21 643565274 ALABUUXRQCRYKI-UHFFFAOYSA-N 532.729 4.539 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1C 9310029 IUCVMRVAUAFSPW-NJIOILOSSA-N 522.627 4.753 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(N(Cc4c(Cl)cccc4Cl)S(C)(=O)=O)cc3)CC2)cc1 100096872 QSFPPNGTYGOEIS-UHFFFAOYSA-N 548.492 4.931 10 40 KJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1 101130400 OIZCASAOMXEDTK-ZRBLBEILSA-N 530.374 4.761 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc(F)c1 103852136 TZGKNLXGUQOWRD-LICLKQGHSA-N 606.388 4.988 10 40 KJCB CC(=O)[C@@H](N=Nc1ccccc1OCCOc1ccccc1N=N[C@H](C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 255995514 PUNNQKXGKNOLTB-ROJLCIKYSA-N 732.714 4.844 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408693910 BCLKMXMUZQWGRG-YBFXNURJSA-N 557.397 4.529 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408814301 OXACLBLKUDZTFQ-NTEUORMPSA-N 554.768 4.717 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1Cc1ccccc1F 408866171 GAMSWQHINFSRRU-CIAFOILYSA-N 536.943 4.922 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 408883229 SAWCGIMDMRUAMQ-UDWIEESQSA-N 511.303 4.539 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1O[C@H](C)CC 408902338 HSACMIPTSFOOMF-VGSSETLESA-N 552.340 4.673 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408935321 CSOWIQKNPAJBBZ-RGVLZGJSSA-N 611.361 4.910 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408937018 HMDLUKRCROQNGN-UDWIEESQSA-N 511.317 4.937 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408954541 RHDMXEVEZQWDLT-DJKKODMXSA-N 657.373 4.572 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)c1 409256782 QALZQVXYEGIQIF-MOSHPQCFSA-N 550.434 4.606 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409261540 CWGWXSNAJYQBAN-JCMHNJIXSA-N 529.618 4.551 10 40 KJCB O=C(COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)Nc1ccccc1F 409398821 DCNATFITKCOROF-YBEGLDIGSA-N 683.215 4.514 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Br)cc3)C2=O)cc1 9075944 NIFILQNPTOQUJV-JWGURIENSA-N 508.372 4.558 10 40 KJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccc(Br)cc1F 29493376 MNXGETNHHLVYHN-UHFFFAOYSA-N 516.706 4.813 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 97971113 AYOOLGGATLQIOB-LFVJCYFKSA-N 524.671 4.967 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccc2c(c1)OCO2 100343072 WBZPKIFBEBCTEK-AWQFTUOYSA-N 526.910 4.702 10 40 KJCB O=C(N[C@H](Oc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 102617823 BRVBELKIZKMXMZ-RGRWXVMTSA-N 605.974 4.580 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 103851550 ACGQTFLKDOBUFI-GZTJUZNOSA-N 556.369 4.907 10 40 KJCB COC(=O)C[C@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108449334 MYLJOVZGJJXULP-LJQANCHMSA-N 617.607 4.663 10 40 KJCB biogenic COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1OC 223497249 HTWBJNKFSHJZCJ-BZSPEZQHSA-N 503.599 4.935 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccccc1 408865762 FHHDYQRDQYZVPM-BOPFTXTBSA-N 525.330 4.842 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 408895323 FCZZIMMJEUAZIM-JLPGSUDCSA-N 501.495 4.629 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccc(F)cc1 409014352 OYLFTXYUXIABSE-KOEQRZSOSA-N 518.614 4.618 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 409066749 PKQJLNTYGXMRAJ-UDWIEESQSA-N 663.886 4.722 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409072416 RWGBZROMBTWUFN-CIAFOILYSA-N 534.952 4.991 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409106272 QTSZJNFVNHPOHG-HZHHUVPKSA-N 627.811 4.594 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 409221720 ACLBLFNSJBWWCG-LPYMAVHISA-N 655.445 4.691 10 40 KJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1 409223675 GXLLOERUOMLSEQ-DJKKODMXSA-N 569.357 4.894 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409243097 YNVRLCKFIXJXMQ-LELXDKESSA-N 581.485 4.995 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)SC1=S 409252477 SACOARBKHVXLLX-WQRHYEAKSA-N 568.458 4.847 10 40 KJCB COc1ccccc1OCCOc1c(Br)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 13894353 VDFYYMQCGGKKCV-PDGQHHTCSA-N 510.431 4.755 10 40 KJCB CN(CCCC(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 28295625 FZOHANGRJBUSRH-UHFFFAOYSA-N 512.587 4.655 10 40 KJCB N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 101108526 CXQHQIQCZLNFKB-FORMPUQESA-N 532.379 4.731 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)c1 225494428 JAPWHNBTWDLPOM-IZLXSDGUSA-N 605.742 4.833 10 40 KJCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 408732543 WPCNHJHDXPMFKC-ITNAUSPISA-N 597.737 4.951 10 40 KJCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)o1 408742684 SAAFGLXJOGFAHJ-WQRHYEAKSA-N 512.341 4.757 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 408768382 FSANLRWYDCBDHW-LDADJPATSA-N 572.330 4.684 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)sc2c1CCCC2 408774100 AQUBIULARCAJTJ-XSFVSMFZSA-N 533.675 4.961 10 40 KJCB CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408842719 AUHFARZPWZAJQT-KPKJPENVSA-N 588.263 4.538 10 40 KJCB Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)C(=O)N(c3ccccc3)C2=S)cc1C 409007302 NQQQDHVSVCHFKU-XHPQRKPJSA-N 555.660 4.712 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c2=O)=N1 409017251 YCVKATOGSDVBKY-IVQFASICSA-N 641.746 4.810 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 409064214 CEMORGGSSNPPSF-YBFXNURJSA-N 652.850 4.777 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 409227771 WOAWTCKVTJIGCG-YBFXNURJSA-N 528.323 4.816 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409340032 PACKCRROIASWSP-AWQFTUOYSA-N 509.521 4.925 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccccc1 105500816 GJHPLMYBMFKRRX-ORZQNFQWSA-N 524.602 4.919 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1NS(C)(=O)=O 225481984 YNYKOFKPTKUBHW-RRPNLBNLSA-N 591.715 4.745 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O 225483578 SKRJETLPDCHZGU-NSOVKSMOSA-N 622.729 4.963 10 40 KJCB Cc1cc(NC(=O)CSCC(=O)N(c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 229851343 XOTGSKVSHZWFOA-DHYKOVJISA-N 713.879 4.852 10 40 KJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408530086 KMYCJWHTOCDKCL-OCKHKDLRSA-N 522.410 4.824 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408853232 QCIMFPMYDMHVSY-XFFZJAGNSA-N 577.227 4.837 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 408873067 RERXSHHDMUGMKP-PCLIKHOPSA-N 520.607 4.642 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccccc1F 408882740 SBBXOUAYCLDIPP-VXLYETTFSA-N 631.354 4.983 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 408916664 FVTQNYYNLPASQB-MKMNVTDBSA-N 591.254 4.832 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)c(OC)c1 408976040 DUHCLLFXBIYHGP-KFOJKGMOSA-N 648.741 4.997 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1Cl 409072564 SVSCPYYUWQMJHS-WOJGMQOQSA-N 531.373 4.736 10 40 KJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)cc1 409384903 FWUAKODCJRCFSM-BKUYFWCQSA-N 532.622 4.572 10 40 KJCB COc1ccc(/C=C2/C(=O)N(CCc3ccccc3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 8970983 UQIGRWYIHFKUNN-KOEQRZSOSA-N 513.550 4.777 10 40 KJCB COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 100084021 GAKMADAUFBBJAW-QKDODKLFSA-N 539.592 4.829 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4cccc(C)c4)s3)C2=O)cc1OC 101005439 BDFUIYXPTSSSNV-MTJSOVHGSA-N 525.677 4.899 10 40 KJCB COc1ccc(CN2C(=O)/C(=C/c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 101142641 DLMHERIPCMJJOF-JLPGSUDCSA-N 540.670 4.667 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 101482096 PGSHGPYRJVJDQT-PWRODBHTSA-N 509.411 4.540 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(OCC(=O)NCc4ccccc4)cc3Br)C2=O)cc1 101636418 SZGHOOFQGVWKEI-OEAKJJBVSA-N 622.472 4.608 10 40 KJCB COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c31)c(=O)n2CC(C)C 108450578 OXXDXLLAEJABHW-SFHVURJKSA-N 585.565 4.703 10 40 KJCB biogenic COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC 225296303 JRNBUYFMYJOVBD-WDYNHAJCSA-N 557.676 4.965 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC 408738382 KLDMFEBMDIBDRO-HDFSHUSISA-N 555.700 4.913 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 408815543 XBOMINCJZUFIGW-FYJGNVAPSA-N 521.913 4.892 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br)Nc1ccccc1 408896669 HCSBIGFSRKPPLU-XDHOZWIPSA-N 554.784 4.786 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc(C)c1 408910220 JQXIFTNLBLMIKJ-KEBDBYFISA-N 586.357 4.993 10 40 KJCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 409082298 IVXYSZDVYGQQCY-PUUMDJTNSA-N 552.700 4.729 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409087675 ZEFVMEUCPVRRNJ-ZDLGFXPLSA-N 542.382 4.981 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c(C)c1 409229923 WAVZITQPUPGUKK-HYARGMPZSA-N 501.608 4.637 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c(C)c1 409257474 PJIXKTWATQIBKP-LPYMAVHISA-N 503.942 4.641 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)cc1 15240561 RTNIUJLDLPYSOP-NHQDZBNKSA-N 522.627 4.753 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)OCCN(C)C)cc3)C2=O)cc1 101007138 CKMGFUUWAJEMPI-CLCOLTQESA-N 583.732 4.592 10 40 KJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 103922704 LHLIBVJBUUGSAA-DIBXZPPDSA-N 584.614 4.936 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccccc1 408740869 IUGRJUNCAINEPX-UDWIEESQSA-N 523.408 4.868 10 40 KJCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 408856553 QJFIFSXOJBDIOC-XYOKQWHBSA-N 558.237 4.529 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1OCC(=O)OC 409046835 KVVXCSDCULSFTO-VZUCSPMQSA-N 563.273 4.901 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC(C)C 409142231 WZBBVZDLTZYOQV-LICLKQGHSA-N 564.445 4.925 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 409206774 XQNXGZFNBIRAOL-PQRKSKNISA-N 571.699 4.613 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4C)c(OC)c3)C2=O)cc1 409256073 JOCRWDDISJSJBY-FYJGNVAPSA-N 655.445 4.691 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409265362 ULVHTACNAAFVHQ-MTJSOVHGSA-N 592.992 4.948 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OS(=O)(=O)c1ccccc1 409346743 OFLCDPJXKKWTTO-UUYOSTAYSA-N 527.601 4.597 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C)cc1 409374074 YKDDEARCMVTJAK-VXLYETTFSA-N 525.355 4.600 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1ccc(C(=O)O)cc1 409400527 SLQZFKFXZNVRLC-WQRHYEAKSA-N 602.235 4.959 10 40 KJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 17994555 OIZCASAOMXEDTK-VJBWXMMDSA-N 530.374 4.761 10 40 KJCB O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)Nc1ccc(Br)cc1Br 103114049 IMLMMYWAUWYTRZ-UHFFFAOYSA-N 588.164 4.691 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1 408825939 KDGGKHZOKLFNQP-NNAGEYCMSA-N 552.700 4.565 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1cc(C)cc(C)c1 408946203 YMBKXGYKZLFQQK-SRZZPIQSSA-N 626.403 4.860 10 40 KJCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccc(Br)cc23)SC1=S 409122958 CROCADVOSZOENK-UWOKGBPVSA-N 536.517 4.652 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1 409246318 AYOWSSQTHSKCIB-WSDLNYQXSA-N 507.543 4.695 10 40 KJCB CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)[C@H]1/N=N\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 100254006 FUIFCOARNSUCDE-PSCYQSDVSA-N 563.013 4.538 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O 225426985 JKUOTCRBQDHMIW-SXOMAYOGSA-N 563.705 4.752 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1NS(C)(=O)=O 225484806 CPZGHOKTYUQTHE-UIOOFZCWSA-N 562.721 4.750 10 40 KJCB Cc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408532557 IIQXQYQVXVSTMN-ZHZULCJRSA-N 505.324 4.643 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(Cc2ccccc2Br)c1 408882463 PZGBNPFDMXDNLR-QNGOZBTKSA-N 507.409 4.880 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)C2=O)cc1OC 409225215 MBGUNMQHAVMMIP-HAHDFKILSA-N 563.994 4.821 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 409400472 RMLVJIYBMFFFIP-ZDLGFXPLSA-N 544.764 4.721 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 102785547 BVNYYYOBTPSLSS-XPWALMASSA-N 577.374 4.603 10 40 KJCB O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)Nc1ccc(I)cc1 103113776 ATKNXSZTWAHDBM-UHFFFAOYSA-N 545.716 4.516 10 40 KJCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)c(F)c3)CC2)cc1 113512289 FAKGZFVVOAOQJD-UHFFFAOYSA-N 538.428 4.904 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260770782 UFLAWZAKIVKZDL-XZOQPEGZSA-N 527.731 4.916 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 409073641 QUYBOTRDKYUULO-YBFXNURJSA-N 697.847 4.686 10 40 KJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1C 409249374 HOEAKESLQAIWMF-JMIUGGIZSA-N 554.386 5.000 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409259455 ZQVOFWARRNVPJT-YVLHZVERSA-N 585.356 4.594 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br 18355149 ISIBLZKQBMQDTC-HKBOAZHASA-N 581.216 4.907 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 101216978 HPGAUMSYAJKOIP-NKIPCUOMSA-N 525.993 4.690 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 225216667 AUROPOGANVAPTF-IZLXSDGUSA-N 555.660 4.949 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1NS(C)(=O)=O 225431514 FUGPTDJAOUSCSM-NSOVKSMOSA-N 622.729 4.963 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)S1 408527696 BJKCPFCBASHHMB-LSCVHKIXSA-N 522.808 4.535 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1 408542383 ITSFVAZFPIGZDJ-BUVRLJJBSA-N 507.546 4.759 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408852889 NZPQORHPNFGNPP-LZYBPNLTSA-N 601.297 4.872 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1O 409010912 DQEREAVAMNCEFW-OQLLNIDSSA-N 556.809 4.613 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1OCC 409195001 RZSPROBAVPKVFE-WOJGMQOQSA-N 561.429 4.706 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409243095 YNVRLCKFIXJXMQ-BCUAHEQISA-N 581.485 4.995 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 409365676 VSBFPDMRCJHWOY-MOSHPQCFSA-N 551.958 4.870 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1C 409382303 ZPMJMFYPJHEOQV-OEAKJJBVSA-N 520.010 4.806 10 40 KJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 409400204 QNIZYIHOBXGNEX-YUMHPJSZSA-N 524.552 4.712 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCCOc1cccc(C)c1 100269641 ZQFWATHDNPLVHV-BOPFTXTBSA-N 527.405 4.555 10 40 KJCB CCOC(=O)c1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C(=O)OCC)c4)C3=O)SC2=S)c1 101017006 WVWAODAGRPGBLR-ISLYRVAYSA-N 558.684 4.681 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408900816 XOWLADQZQCVZLH-PDGQHHTCSA-N 603.422 4.729 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)c2=O)=N1 409033609 MIGCSZYJVOAEHO-YNMQQHPQSA-N 525.674 4.823 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409044753 DBYOLSCOSDSBSJ-XDHOZWIPSA-N 524.360 4.986 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC)c(Br)c3)C2=O)cc1OC 409136031 XNKPJFQXKRRGAL-OVCLIPMQSA-N 582.245 4.680 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c2)SC1=S 409254470 XLQALSQOSWXUEC-MOSHPQCFSA-N 540.585 4.969 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409265695 NYOCRXYBQCVLDY-STZFKDTASA-N 536.009 4.588 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1)Nc1ccc(F)cc1 409363865 OESRQTUYRFXLIR-ODLFYWEKSA-N 528.323 4.816 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 103850891 XAJKKLAQQSQQGN-UDWIEESQSA-N 540.301 4.742 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)ccc1Br 408762329 KAQPDDFBGMTBQH-FYJGNVAPSA-N 536.338 4.911 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Br)c3)C2=O)cc1 408803784 ALTHNKVJUMAWAW-FYJGNVAPSA-N 549.377 4.790 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408935255 CKOVXTCSWSRMAZ-BUVRLJJBSA-N 510.477 4.923 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408991803 YUXUNLFEBRAYQM-UQDCTOEPSA-N 664.578 4.764 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409061257 CGNUVZNWEKIWNS-URFJJRPFSA-N 593.705 4.573 10 40 KJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C 409095930 DXZKTRDHSSNMBE-XDHOZWIPSA-N 507.999 4.894 10 40 KJCB Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409136819 ZSWAOTLCWDSNJH-CFRMEGHHSA-N 535.651 4.635 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4cccc(C)c4)c(Cl)c3)C2=O)cc1 409247953 FGNSPJXZHODOOT-JAIQZWGSSA-N 582.396 4.772 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(I)c1O 409329496 GPEJKAIGYONRMG-OQLLNIDSSA-N 560.822 4.595 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c3ccccc32)o1 409389849 CLUGBLWJIJENAX-RGVLZGJSSA-N 519.966 4.554 10 40 KJCB CN1CCN(C(=O)c2cccc(OCCCN3CCCC3)c2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O 643568351 ZVNSAJDFGUHUER-UHFFFAOYSA-N 626.798 4.586 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2671806 HTHYVWNCRMFROZ-JCMHNJIXSA-N 504.681 4.949 10 40 KJCB Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 13562860 IUMREHFXLZJHNY-FDFHNCONSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 101110335 XLISFXGKAZIYFZ-GQHYPKHLSA-N 527.606 4.832 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(I)c1O 103522688 FCVRUWWSVWHYAT-UHFFFAOYSA-N 556.381 4.754 10 40 KJCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O 408536407 RIOYQYNZJXWFHB-MPKIVNMISA-N 564.335 4.576 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408934268 DMUHQFSVQXOBQJ-RGVLZGJSSA-N 657.373 4.542 10 40 KJCB Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)cc2Cl)c1 408937405 JFMBSRAYXQYCSK-CIAFOILYSA-N 504.926 4.900 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 408978713 ASHMXWGRKDOBGJ-CRCYZHLCSA-N 562.091 4.868 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)C1=O 409071422 JXKOZTQSNYFWFN-QGOAFFKASA-N 575.824 4.845 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1O[C@@H](C)C(=O)O 409231406 DBGMOOUQEVOOBE-JCOWXEQYSA-N 544.604 4.681 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409262010 GZNWWMXUNQIQOU-YVLHZVERSA-N 629.807 4.703 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1 409266181 PQWZSQZDMQNUJY-KGENOOAVSA-N 578.419 4.840 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1cccc(C)c1 409373258 GIMZLZOKWFKQQE-RGVLZGJSSA-N 586.382 4.832 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409410173 ZVNMBKJTUAVWKV-MOSHPQCFSA-N 505.958 4.526 10 40 KJCB O=C1C[C@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 24193234 CUJFPZITKYZMQP-UWHDLEFDSA-N 501.511 4.720 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OCC)c3)C(=O)N=C2S1 97964690 HUBKEGIBQLIDQI-VKRJAPGXSA-N 535.626 4.921 10 40 KJCB Cc1c(C(=S)N=P(N(C)C)(N(C)C)N(C)C)c2ccccn2c1C(=S)N=P(N(C)C)(N(C)C)N(C)C 97984823 HLZDOOLECIQOOT-UHFFFAOYSA-N 571.742 4.861 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 100414795 NDKOWKXNCQBBAV-NJYVYQBISA-N 510.304 4.828 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 103849932 PKTVCMQZKGGDTP-RGVLZGJSSA-N 586.357 4.993 10 40 KJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)C2=O)c1 408785460 ZCYLZUBKRKCVOF-LPYMAVHISA-N 598.393 4.944 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OCC 408899696 PYHVPWDQFWXYRJ-DHDCSXOGSA-N 507.768 4.875 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 408944319 UIOYWMCCOLZKRJ-DEDYPNTBSA-N 522.311 4.603 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 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COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)cc1OC(C)=O 8443672 WYYFYCSUMPYLIM-LZYBPNLTSA-N 508.166 4.952 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1 8820082 ZVMUWBLBMYKFPY-ZHZULCJRSA-N 512.609 4.572 10 40 KJCB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 10113543 XRCDLAYRLFDXJK-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c1C 13632607 SPQUOMFLGSBCPQ-UHFFFAOYSA-N 514.047 4.524 10 40 KJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 13777333 ONVFSDGAZOCCRS-ITYLOYPMSA-N 511.607 4.596 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OC)c3)C(=O)N=C2O)c1 59104211 LQDAZKWKRAILIR-LICLKQGHSA-N 502.951 4.804 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 100870368 XATACWSLWUMSHH-ASSGYOTOSA-N 529.065 4.593 10 40 KJCB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 103585722 CZJXLAUNHRJLNG-XQWBAOJFSA-N 539.061 4.778 10 40 KJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 103860133 JORDGHDTJVGEAB-FYJGNVAPSA-N 538.379 4.768 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)c2C)sc2c1CCCC2 408741788 LCMMTLJANFUFPM-PXLXIMEGSA-N 547.633 4.886 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 408893489 AUIXUVWQHIWBCD-RGVLZGJSSA-N 582.382 4.589 10 40 KJCB CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408899703 PYYIHXKEQSBFMA-BFERYNQYSA-N 548.377 4.760 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1 408940008 TUZKGKNCNJGISY-ONUIUJJFSA-N 506.514 4.872 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409072038 AIPWSTUKELYVFQ-VXLYETTFSA-N 556.314 4.845 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 409264086 KTEZAFVMHWOLSS-CIAFOILYSA-N 608.445 4.767 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 2062466 GQYUUOGHWCMNMY-GZTJUZNOSA-N 518.694 4.871 10 40 KJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 9293240 UZNDJOOMOPMKNL-YFIZFCHVSA-N 509.035 4.688 10 40 KJCB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408597189 XUPLSQWENIHCBF-QGZVFWFLSA-N 501.004 4.664 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 408866963 JHVPPANOZHOPDY-ODLFYWEKSA-N 588.398 4.849 10 40 KJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCc1ccc(Br)cc1 409026696 VKAGQXULHHMQSH-MFOYZWKCSA-N 540.233 4.906 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 409044947 DRAQWISAYWSPJC-YBFXNURJSA-N 561.399 4.745 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409178833 PEGBESAEHGQFOH-JLPGSUDCSA-N 547.658 4.957 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(OC)cc4)c3)C2=O)cc1OCC 409384176 ARPVTWJQFHWKJL-KOEQRZSOSA-N 573.602 4.567 10 40 KJCB CC(C)(C)OC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN21 8691750 LTYALSLLBKTIJI-GVAUOCQISA-N 523.545 4.859 10 40 KJCB aggregator COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1 225220293 MOAGFWMTXZAYPD-WUFINQPMSA-N 526.666 4.955 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC 408809350 GYWQEXMMXZAWAD-NTEUORMPSA-N 507.768 4.875 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Br)cc1 408888913 CSQCLJFVOFQSCA-UDWIEESQSA-N 522.311 4.603 10 40 KJCB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)cc1 408926432 UJRIDGDYEZRMQD-YMSBRDKKSA-N 586.577 4.737 10 40 KJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc(C(=O)O)cc1 408937166 MQPDATCKPPRROF-RGVLZGJSSA-N 511.317 4.937 10 40 KJCB Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408967856 SKUORRXIXLBFRP-USHMODERSA-N 555.679 4.760 10 40 KJCB 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QJDSZCBJQKXBLA-DIBXZPPDSA-N 510.590 4.610 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 225494696 LGJBHCSEQWXFAP-VSGBNLITSA-N 605.742 4.833 10 40 KJCB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)cc21 408535870 UHJNIQDAUGJIRZ-PTGBLXJZSA-N 689.611 4.523 10 40 KJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2I)c1 408692171 GEWUPFPJHGSNMY-XDHOZWIPSA-N 530.362 4.583 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 408767170 JNQLZFLDDZBUBC-DJKKODMXSA-N 520.925 4.631 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408777326 YOPORWOEHUCHPK-ULJHMMPZSA-N 528.561 4.599 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 408920262 DPUSMYPXCBCGOP-UHFFFAOYSA-N 547.599 4.567 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c(OC)c1 409061205 XYMJBGLXBKAHMA-GJKZIJEQSA-N 594.737 4.881 10 40 KJCB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1Cl 409182903 PVMASJBQYRJEDT-KEBDBYFISA-N 540.937 4.980 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409261660 COCAJXPHMXDUDA-NDENLUEZSA-N 533.968 4.649 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409346531 KIWDDQXLXPIUQM-WSDLNYQXSA-N 587.613 4.994 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Cl 17721282 FNXVYEXICLKDEB-HKBOAZHASA-N 536.765 4.798 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 97958080 CGBGUWPXSAKVOT-HCWVEKLQSA-N 544.076 4.655 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 164847259 KRWAICPPHMGCAR-NULZLWRNSA-N 662.164 4.804 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1I)[C@@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O 226326991 HZLFERFNCYBETC-NJDAHSKKSA-N 628.216 4.749 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1cc(C)cc(C)c1 408868825 PDQZHDUSHAHLFV-WSDLNYQXSA-N 582.394 4.879 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408897621 ZABICMDTDDAAKD-YBFXNURJSA-N 605.850 4.854 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 408989172 HDVFSAOMQDYMQU-RVDMUPIBSA-N 508.562 4.780 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089777 JZZBVHMSOOQDFR-FRKPEAEDSA-N 628.304 4.641 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 409260481 QTRNPXORKVFKMX-CPNJWEJPSA-N 540.359 4.686 10 40 KJCB O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1)NCc1ccccc1 409260619 SUXHJRDNLIPBIA-CFRMEGHHSA-N 518.616 4.512 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409404148 CMUNWNHVVLTZJO-NDENLUEZSA-N 585.354 4.639 10 40 KJCB 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COC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(OC)cc2)sc2c1CC[C@H](c1ccccc1)C2 113628057 XSJSAWLYFWQFRH-FQEVSTJZSA-N 535.618 4.961 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(I)cc1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 150423831 PNCGRHQOAQLDBK-NJYVYQBISA-N 628.216 4.749 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 223127379 URUWIBJSQYLKQQ-LOSJGSFVSA-N 529.632 4.813 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 408941636 XLSHIFPUKNDYQO-QGMBQPNBSA-N 558.330 4.861 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408995629 CWGIESKPOQAKMA-DIBXZPPDSA-N 526.589 4.628 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1 409098897 MONKPDNLHXHZEO-UDWIEESQSA-N 522.026 4.982 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409108933 YWTFXXVEPSKYNS-HPFVHPJRSA-N 549.140 4.666 10 40 KJCB 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IPDXPJYHCOANRI-QJOMJCCJSA-N 533.723 4.577 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408876853 RHIFCQYGHQYLMK-YVLHZVERSA-N 525.876 4.641 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409106625 OKQTZRQILBXXBF-QHEKLXHTSA-N 549.140 4.747 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1O 409145251 NFTPQNITXAUBSM-APSNUPSMSA-N 513.822 4.671 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)c(C)n1-c1ccccc1 409206669 VKCABACWWJUBPG-KOEQRZSOSA-N 516.623 4.606 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1F 409370776 UELJJABUYHEFKH-LDADJPATSA-N 572.774 4.926 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(Br)c1 409371209 FAPURGMJFXYMBI-VCHYOVAHSA-N 607.198 4.888 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C 225442513 NVOIQIRBJUKVSY-NSOVKSMOSA-N 605.742 4.833 10 40 KJCB CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 254134195 MLCFJDJPAIZRMR-ABXLTNBCSA-N 754.874 4.816 10 40 KJCB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 408538440 MXKWJXQPRAVEPU-UHFFFAOYSA-N 536.968 4.655 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408843286 DCPVMYDMMZDKAU-OEAKJJBVSA-N 514.534 4.646 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408893037 FAWYKTKVFBSUFX-KGENOOAVSA-N 569.433 4.808 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409075348 QZWXOKGUAWYQPI-HYARGMPZSA-N 555.008 4.790 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)N3CCCCCC3)c12 409144759 OXUMGMDRSZCHDL-FYYJVHHASA-N 511.713 4.987 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4Cl)c3)C2=O)cc1Cl 409252587 CNRCAVGNXKNRSG-XDHOZWIPSA-N 524.360 4.986 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1[N+](=O)[O-] 409340498 YELXVGKBYMGCRY-YVNNLAQVSA-N 556.599 4.805 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)SC2=S)cc1 409349598 VMZHOFCMEIAHEW-MFKUBSTISA-N 577.684 4.884 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC 105516187 AHJUBLYNGNTYGI-HRIDGTDGSA-N 555.700 4.831 10 40 KJCB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N(CC)CC)cc2)c2ccc(F)cc2)cc1 223550533 VGGVVULVKBOQQX-UHFFFAOYSA-N 513.635 4.582 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(N2CCOCC2)cc1 225497653 XFVHLZAHCFSAOF-CONSDPRKSA-N 566.731 4.937 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408800272 LJKPHOZJOOGFTQ-YBFXNURJSA-N 511.303 4.539 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408814750 ZPMRJGZHBUWQIM-RGVLZGJSSA-N 613.364 4.762 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409254659 FGRVVYPEQSRNAE-MTJSOVHGSA-N 533.968 4.649 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2062470 LPWRGSYQGOUVAY-HYARGMPZSA-N 552.450 4.865 10 40 KJCB COc1cc(C(=O)c2cc(Cl)ccc2N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc(OC)c1OC 2133754 NJYJRHNVNINPMH-VWLOTQADSA-N 513.930 4.895 10 40 KJCB biogenic O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 103858039 IBKVLLPUHXDOQS-YBEGLDIGSA-N 515.703 4.727 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O 225441797 ABRXUZWLNBOGNO-IZZNHLLZSA-N 533.679 4.738 10 40 KJCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 408528610 HXVDMJDQBVVNQR-PDGQHHTCSA-N 532.445 4.733 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)c(Br)c3)C2=O)c1 408854114 XZPFHIWSEXSABG-QGOAFFKASA-N 530.419 4.759 10 40 KJCB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408860132 YEWDBKZXFKMMPY-OZIJZHKYSA-N 522.605 4.703 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)cc3)C2=O)cc1 408999884 SQGLCFHLKFXPNC-HYARGMPZSA-N 554.340 4.545 10 40 KJCB COc1ccc(Cl)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 409062537 WITCOBZYVCQQHE-SUAMDDGLSA-N 566.123 4.757 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S 409102800 UFHNEIPNZPVAFD-SFQUDFHCSA-N 547.805 4.875 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409259054 ZEARDMYOZCJYSA-JMIUGGIZSA-N 578.965 4.558 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409262863 JGUHTTYKWNVGRL-HYARGMPZSA-N 533.968 4.649 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 409271482 LLLORBIERGSHNY-UNOMPAQXSA-N 570.852 4.951 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 409385807 KXSLXNLWPCXAPX-CIAFOILYSA-N 567.957 4.570 10 40 KJCB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 409409443 OZVOANJYLAXOSS-QNGOZBTKSA-N 506.942 4.818 10 40 KJCB O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 8426086 NKCIUAYKOHNWTH-RVDMUPIBSA-N 525.409 4.901 10 40 KJCB CCOc1ccccc1N1C(=O)[C@@H]([C@@H]2SC(=S)N(c3ccccc3OCC)C2=O)SC1=S 16688841 QSKDRITYGBDFDS-HDICACEKSA-N 504.680 4.651 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 100618614 SKOCSLGNLVPBBW-ASZNLBCTSA-N 541.673 4.523 10 40 KJCB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 102846122 FSBGXBCMSIEPQR-HAVVHWLPSA-N 584.745 4.636 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C2=O)c(OC)c1 408542268 KGPPOCSIKKHXOF-KOEQRZSOSA-N 599.640 4.584 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408777990 NPXXXYFWZRGGEY-AYBCGVOZSA-N 545.419 4.545 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc2ccccc12 408873700 WGRLLGBYGKUBBI-GTWFGUSFSA-N 576.516 4.780 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408893630 BHMWQOLXSLFODH-HAHDFKILSA-N 504.514 4.869 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408894363 CFRRBJXEQZYLND-CIAFOILYSA-N 578.419 4.758 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)ccc1O 408942198 YBJUSTWWBNEUKT-VXLYETTFSA-N 513.333 4.953 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br 409059756 XKTSXFCOVVYNSQ-YRNVUSSQSA-N 528.584 4.930 10 40 KJCB CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OC)c2)C1=O 409124968 CTJBRHMBZYSVKD-XMHGGMMESA-N 531.403 4.697 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1F 409374022 JKLWJXMFQWDQPM-VCHYOVAHSA-N 543.345 4.821 10 40 KJCB COc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 13025136 AFSOMTSHIKTJBK-MHZLTWQESA-N 503.599 4.572 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]32)cc1 101142687 OFJOQMMYCMPPEC-BDTNDASRSA-N 506.341 4.997 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(=O)O)c1 225396986 HXTJYTQURZOIPP-IZZNHLLZSA-N 561.689 4.736 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408785380 YRBXSFAEIUHSCR-JLKMOJGBSA-N 537.685 4.879 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccccc3)C2=O)cc1 409069040 VOYCZPPDQGTIRV-DEDYPNTBSA-N 561.399 4.826 10 40 KJCB CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC 409352421 YTSWLQIEHAYTFW-LDADJPATSA-N 517.376 4.702 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c(C)n1C[C@H]1CCCO1 25424757 GZQOCYXRRDJCRE-QGZVFWFLSA-N 505.954 4.752 10 40 KJCB CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 100860220 CRGSEYRRTUNNSW-RELWKKBWSA-N 537.686 4.552 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(I)cc3)C(=O)c3ccccc3C2=O)cc1C 101107329 GKVGGQGTXNBZNT-ZRBLBEILSA-N 577.374 4.603 10 40 KJCB O=C1C[C@H](N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 102886845 CUJFPZITKYZMQP-OGUWASHFSA-N 501.511 4.720 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1NS(C)(=O)=O 225485032 MZOBSRVFSFVDBX-RRPNLBNLSA-N 562.721 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc2c(c1)OCO2 408534082 LEADVGBLUVIRHG-VXLYETTFSA-N 568.460 4.718 10 40 KJCB CCCCCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC 408537056 CACGOWXBINKRTA-UYRXBGFRSA-N 559.413 4.870 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 408808534 PZUTUWBKEYIPDY-PXLXIMEGSA-N 504.926 4.762 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408912348 FIJFNUSWXXNMRE-AWNIVKPZSA-N 544.254 4.990 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C 409015460 ATQVYNGUNFECTD-UAMLYEQYSA-N 613.736 4.698 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409080182 MKCXUZFCBNPWQW-UDWIEESQSA-N 585.432 4.509 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC 409136161 TWJBXBPIHMCZCS-LPYMAVHISA-N 629.087 4.884 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409235421 PQHQIXRKLRVCGC-VBKFSLOCSA-N 526.299 4.682 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 409253661 GIPBUQLKIJPWGG-FYJGNVAPSA-N 566.383 4.889 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 409272514 ZILUMCHMFWYIAM-STZFKDTASA-N 503.942 4.641 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409377897 MCJNVWSPNWAUPJ-STZFKDTASA-N 533.968 4.649 10 40 KJCB CC(C)N1CCN(c2ccc(OC[C]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 1560407603 UAORRPHZPSXDEU-SANMLTNESA-N 531.464 4.626 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223466369 RQLPMPKBVHSDTI-IZZNHLLZSA-N 514.611 4.974 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408784565 UXJHIBMTXWFBKX-CIAFOILYSA-N 534.952 4.991 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 408903065 ORLHNJOWRBBYOT-OQLLNIDSSA-N 538.192 4.675 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 408916880 HXDGODGIXURCJI-GRSHGNNSSA-N 606.388 4.988 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408943338 RZEOALKYTGHEMJ-YBFXNURJSA-N 567.308 4.511 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 408944343 UKICTNJJCHUEMN-DEDYPNTBSA-N 522.311 4.603 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1 408980260 FGQVFQJAQXBFHN-ZCWBPALNSA-N 650.551 4.706 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408989508 UJNUWIUUADIXIS-UQDCTOEPSA-N 575.134 4.925 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OCC(C)C)C2=O)cc1 409042551 NHOISWQYQIWTLF-RQZCQDPDSA-N 552.219 4.921 10 40 KJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 409102208 VGZQYUSAZPWOER-MTJSOVHGSA-N 546.443 4.742 10 40 KJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)NCc1ccccc1 409264106 JUTVNYYVPIVVIK-MXAYSNPKSA-N 548.642 4.521 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1C 409359467 ONCWAQYGQOXOND-HAHDFKILSA-N 517.632 4.867 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1C 409378743 RBFBPKASTLYROM-MXAYSNPKSA-N 546.605 4.632 10 40 KJCB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(I)c1 8396329 YDJQAAWSURFTQQ-SRZZPIQSSA-N 515.326 4.931 10 40 KJCB CN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8777588 IPDLYFDBPPQKDB-XYGWBWBKSA-N 548.064 4.881 10 40 KJCB COc1ccc(-n2c(C)cc(C3=NN=C(Nc4c(C)n(C)n(-c5ccccc5)c4=O)SC3)c2C)cc1 12540472 GOFLROZMHJNKHF-UHFFFAOYSA-N 500.628 4.820 10 40 KJCB CC(=O)Nc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 13025087 QZFJCQNWJADDMA-MUUNZHRXSA-N 530.625 4.522 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 13806127 BPNNRWAQPPGVET-NCJDQSJGSA-N 522.696 4.930 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223467584 TXEGXAXASIKPDB-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408528454 BIIZCQGIBWCJJL-ZHZULCJRSA-N 519.351 4.952 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C(=O)NC2=S)cc1 408543979 RFCYTTYJMJKMBG-PCLIKHOPSA-N 523.614 4.870 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)OC)CCCC5)c3C)C2=O)cc1 408785782 BVTQFDZBGUCUJR-PXLXIMEGSA-N 547.633 4.886 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 408887551 ROMADVRUXFGQKZ-YBFXNURJSA-N 583.366 4.629 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 409015353 ROTXOYOFALTVFN-OEAKJJBVSA-N 571.449 4.706 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409057319 JROJSPUQYPVLQF-XKGHIZKOSA-N 540.714 4.844 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409090446 NGTONYJSWUXSSI-WQNUKSJVSA-N 658.615 4.823 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCCC1 409137178 UIWYCIVKRRYQAR-DUQUIBLKSA-N 548.528 4.797 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c(C)c1 409145717 QUGXNPPHUZLMSZ-HYARGMPZSA-N 501.608 4.637 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409219472 NAIYQGDBJOUWFC-WSDLNYQXSA-N 547.995 4.958 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409225641 QJOFEUSJDNIWSD-FYJGNVAPSA-N 584.810 4.795 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F 409377783 JVPFKCBODKTWFG-ZDLGFXPLSA-N 627.379 4.579 10 40 KJCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(O)=NC1=S 2383726 OSELSDBKXSIZOS-RCCKNPSSSA-N 541.585 4.562 10 40 KJCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 100166373 LAJGHIFJDGJPAX-UYRXBGFRSA-N 560.535 4.684 10 40 KJCB COc1cccc(C(=O)Oc2c(Cl)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 101102289 DCEXHFPXPWKBDQ-LKRMPACWSA-N 547.980 4.639 10 40 KJCB CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 103858500 RZKXEPHDXFQGGE-NTUHNPAUSA-N 528.584 4.930 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225400368 VFNYTNBYKDETLY-RRPNLBNLSA-N 592.703 4.955 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545577 ZYVSDQPOKLEWRJ-PCLIKHOPSA-N 557.578 4.706 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(I)cc4)o3)C(=O)NC2=S)cc1 408740586 HDYWMKFKDRPRNI-LDADJPATSA-N 514.344 4.691 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc(C)cc1 408808996 GQJKJBZXJGOCDW-KEBDBYFISA-N 566.364 4.920 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)o1 408906778 KFTMMYIEJFQRDP-PCLIKHOPSA-N 650.482 4.741 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 408935636 IESCIQUYNXCRHK-CIAFOILYSA-N 626.403 4.942 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409004108 OCQUXPUEMRPWKU-WGOQTCKBSA-N 541.604 4.727 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409074639 WCVBTVJJHSGHJP-LHMNITIUSA-N 609.748 4.861 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)cc1 409362133 RZEKZLFTMIWZDI-IWIPYMOSSA-N 547.658 4.876 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1I)C1(O[C@H]2c2cccc(Cl)c2)C(=O)c2ccccc2C1=O 18355146 XIGIYRWVROLPPH-HBMCJLEFSA-N 583.765 4.640 10 40 KJCB Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCN([C@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 22859552 VDOTYYGPDCAYHS-KKLWWLSJSA-N 626.618 4.509 10 40 KJCB CC(C)COc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96222750 GJEOLGIMMHGIHM-KRWDZBQOSA-N 504.491 4.758 10 40 KJCB biogenic COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 225399576 YTMMSKBNGDATMQ-SXOMAYOGSA-N 592.703 4.955 10 40 KJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)NC1=S 408768561 HCNXZLDLYBNGRO-DEDYPNTBSA-N 541.414 4.838 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1 408936023 JPOAUSNZCYKQPV-OEAKJJBVSA-N 514.534 4.646 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409052904 BJJAWODDNQZLQE-AWNIVKPZSA-N 528.584 4.930 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1 409071759 PJTBXBWIOFRDJI-OCEWKHMESA-N 536.097 4.749 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409262299 HNKALTRUYIODIA-NDENLUEZSA-N 536.009 4.506 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)c(Cl)c3)C2=O)cc1 409263032 LFYYIDDEMSMZOV-KGENOOAVSA-N 533.968 4.731 10 40 KJCB CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778051 VAKOBGHPUJNLLG-XHPQRKPJSA-N 575.662 4.787 10 40 KJCB CC[C@@H](C)C(=O)N1c2ccc(OC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 9008479 KDTDOWKIESEMSI-GFCCVEGCSA-N 521.682 4.943 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 18203709 LNDUMNMWNDUWSG-FKBYEOEOSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 97958524 MXRJBOGXMQBYNN-FDLDKBQRSA-N 518.576 4.674 10 40 KJCB COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2OC)cc1 100267471 XFSHKUFEVLZZEH-OHMBLGONSA-N 547.614 4.776 10 40 KJCB CCOc1cccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)O 100386490 NZZDTPFEQNQFOZ-LZYBPNLTSA-N 542.422 4.793 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 100414741 ISIBLZKQBMQDTC-HBMCJLEFSA-N 581.216 4.907 10 40 KJCB Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 100860347 YTRHWHSCVNHLAL-XQNSMLJCSA-N 549.697 4.612 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)ccc1OCC(=O)OC 103844631 KCSSPFDENDNNJM-DHRITJCHSA-N 558.631 4.771 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(Br)cc1 408535779 OTUVFAQCIYWLOJ-MHBAKHQESA-N 553.409 4.717 10 40 KJCB CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408845663 YQMXLZHIAZFAET-JKALPCAWSA-N 614.871 4.823 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408890544 VMAZOCJLPCYCOY-FYJGNVAPSA-N 615.458 4.599 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Br)cc1 408893476 GJNFHELIPRRNLL-SFQUDFHCSA-N 575.824 4.845 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 408982266 JICWWMXJENGAJN-FQKMCRJQSA-N 529.662 4.724 10 40 KJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 409236297 DIHADHBBPRXGAN-JAIQZWGSSA-N 514.485 4.852 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 409262679 JNGKIMCBVLWDHG-BOPFTXTBSA-N 647.878 4.802 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409386572 MYOLLXNVAQPUFS-YVLHZVERSA-N 558.349 4.825 10 40 KJCB COc1cc(NC(=O)[C@@H](/N=N/c2cc(OC)c(S(=O)(=O)Nc3ccccc3)cc2OC)C(C)=O)c(OC)cc1Cl 95831821 WNWZKKBGFYKSGA-FEIADIGBSA-N 591.042 4.855 10 40 KJCB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100314936 XTTLSZFVSLTGFN-KGENOOAVSA-N 542.616 4.773 10 40 KJCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N\c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1 104367024 TYVGSUNDGUVWQC-RIIXPHEHSA-N 608.588 4.822 10 40 KJCB COC(=O)C[C@@H](c1ccc(-c2ccccc2C(=O)O)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108448257 LTAQIXPFPPJWNL-INIZCTEOSA-N 574.494 4.641 10 40 KJCB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 408695137 QMCBJJMIKMTHFY-YBFXNURJSA-N 557.397 4.529 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1 408885402 ZGTKVRQWHVRWPG-PCLIKHOPSA-N 512.562 4.746 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Cl)c1O 408903144 PXHDBXXKHMLOPI-KPKJPENVSA-N 544.583 4.636 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408933786 BIANILQQIOTDJA-FYJGNVAPSA-N 521.913 4.892 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(F)c1 408946645 ATTOVORMJYOGED-DJKKODMXSA-N 583.366 4.961 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 408989479 UIVYHRHQIUYTLY-CRCYZHLCSA-N 562.091 4.868 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 409061186 BSNUXPZQYSBTKX-UMWOECMCSA-N 593.749 4.896 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)c(Br)c1O 409228300 WYBCSLMBOGHCLJ-RIYZIHGNSA-N 554.260 4.881 10 40 KJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409237779 LUINVACCNCWWDR-UCQKPKSFSA-N 521.415 4.950 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409257711 PSZMPECEGACDDG-LPYMAVHISA-N 669.472 4.999 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5ccc(C(=O)O)cc5)cc4)c3C)C2=O)o1 409399563 JYRFQBFSOPEHFK-YSMPRRRNSA-N 569.570 4.844 10 40 KJCB Cc1nn(C(=O)c2cccnc2)c(-c2ccccc2)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 5485872 GPTGMHOSKXCSBL-NVQSTNCTSA-N 524.566 4.948 10 40 KJCB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccc(Br)cc1Br 103114100 DSRHKIZHIRGUIK-UHFFFAOYSA-N 543.167 4.783 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1NS(C)(=O)=O 225481947 YNYKOFKPTKUBHW-SXOMAYOGSA-N 591.715 4.745 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(C(=O)O)c1 408902316 HJEMVYZJNNONEH-VXLYETTFSA-N 569.339 4.540 10 40 KJCB CC[C@@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408902547 JOCVDGXQLQZWRA-GFQQVXNGSA-N 599.219 4.906 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2Br)cc1 408903608 UHLWDNMNLOIMRV-UDWIEESQSA-N 552.356 4.581 10 40 KJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H]1c1ccc(N(C)C)cc1 408986758 DKIIAWJGEGSWHK-QHCPKHFHSA-N 501.052 4.924 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409065654 INNLWBJVOILGEV-QGOAFFKASA-N 561.399 4.826 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1)Nc1ccc(Cl)cc1 409226700 RJMMBPGBHRJRIG-BKUYFWCQSA-N 554.784 4.786 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409266922 LSLMLNVUBHFJDI-PFHZTYADSA-N 537.034 4.885 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1F 409401392 XXHKNYOBOGCYFN-WQRHYEAKSA-N 512.291 4.537 10 40 KJCB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102743212 SNMPYFACSAJTOE-JIMJEQGWSA-N 503.510 4.544 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)cc1 408777599 CZVMUBJAJGRSTB-FYJGNVAPSA-N 510.413 4.697 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(C)c1 408805196 JMCXXOOAPVXKPO-KEBDBYFISA-N 521.913 4.811 10 40 KJCB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408853477 UGULKNVDUXNRFP-FSJBWODESA-N 501.539 4.738 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 408898941 NHOGTIHCOMJIGJ-RGVLZGJSSA-N 612.376 4.552 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)cc1OC 409068765 BXJPMBNMFMNXPQ-MDWZMJQESA-N 509.809 4.650 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(Br)cc1 409374132 YVJSPVGQXAWBEI-GIJQJNRQSA-N 545.773 4.945 10 40 KJCB CN1C[C@H](c2ccc(Cl)cc2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(F)cc12 98007831 DTAIXEYKHUWKQM-NGXZDTIWSA-N 528.030 4.748 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 100205781 MNEFXOZVPGEMJX-UDWIEESQSA-N 535.350 4.701 10 40 KJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 100762775 NWVUAQAIZVFXHU-PGECNJAHSA-N 542.642 4.998 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 105512015 JGTAEDMOKRYTDX-BIWBSIMWSA-N 529.637 4.653 10 40 KJCB CN1CCN(c2ccc(C3(C4(c5ccc(N6CCN(C)CC6)cc5)C(=O)c5ccccc5C4=O)C(=O)c4ccccc4C3=O)cc2)CC1 150462624 LDMBUEZWZJOCDU-UHFFFAOYSA-N 638.768 4.524 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O 223176093 FVYQIWQMNNJNFG-CLJLJLNGSA-N 526.106 4.543 10 40 KJCB Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225400837 SGKICSZQMDSIQP-JWQCQUIFSA-N 532.695 4.741 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)C1=O 408535349 NSYZZPOADVDISH-AQTBWJFISA-N 555.768 4.997 10 40 KJCB CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 408538157 JWMIDIGGCHZUDX-RGEXLXHISA-N 516.348 4.983 10 40 KJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 408763385 NMZRBKQHSLAXAI-OQLLNIDSSA-N 552.219 4.984 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1 408819474 XHGSKVAHGVVZAS-PXLXIMEGSA-N 504.926 4.762 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 408900433 SLMHNLAFUCVPLW-SRZZPIQSSA-N 534.952 4.909 10 40 KJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 408998291 PUNRWFPQFLGVFC-YBFXNURJSA-N 525.319 4.874 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(/N=N/c4ccccc4)ccc3O)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409039587 WXUQYAIQBWGXKM-XNIUMVKYSA-N 656.717 4.870 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 409087106 GHHHIMYJCRFGJO-XDHOZWIPSA-N 555.421 4.859 10 40 KJCB CCc1ccc(NC(=O)COc2c(I)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1 409234544 NQBCRCBMFFNIPN-WQRHYEAKSA-N 568.458 4.711 10 40 KJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(OC)cc4)C3=O)o2)cc1 409334357 XDCKXFLCIJIKTF-KGENOOAVSA-N 508.577 4.678 10 40 KJCB CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O 409340490 XZORFNDZXCARHN-LDADJPATSA-N 507.431 4.793 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409410106 YXNHGFAZDRLINB-ODLFYWEKSA-N 560.775 4.994 10 40 KJCB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 9235631 CLMXKTDVOYSEGM-BSMJIXEWSA-N 502.644 4.678 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)cc1 223604134 OVDBPSHZRMZLMQ-IBGZPJMESA-N 512.503 4.698 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)ccc1Br 408764368 TYYJRGYTLCQEBY-WOJGMQOQSA-N 509.312 4.691 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)cc1OCC 408931990 ANWVOTBLVCXDQJ-UDFIABOWSA-N 571.699 4.531 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408965850 JCRIRILIXZYQAW-HYARGMPZSA-N 507.999 4.756 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 409256425 OMPLUYNGCOQSFL-WQRHYEAKSA-N 661.836 4.733 10 40 KJCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 102659505 PQUCHGUJQDISOQ-YTFSRNRJSA-N 546.373 4.543 10 40 KJCB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 103077586 HUWPHHCBZAZUCZ-MRXNPFEDSA-N 560.609 4.508 10 40 KJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)C1 224336492 KTDVWHSKIPWFJL-HZPDHXFCSA-N 520.080 4.720 10 40 KJCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 408764016 HVTCMPNWLDZUFR-NTEUORMPSA-N 508.166 4.585 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408800889 RTJDBSVFYSLTTG-CIAFOILYSA-N 643.390 4.852 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1cccc2ccccc12 408913714 NGEHXFLFUJJFMQ-YBFXNURJSA-N 525.424 4.837 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)C2=O)cc1OCC 409254164 DKBISFZRLPNHRR-JJIBRWJFSA-N 557.603 4.866 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 409273546 ZADAQJYQHVYKNR-JMIUGGIZSA-N 656.873 4.890 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)C(=O)NC2=S)cc1 409375506 LSHJYDHYRDXWTD-HZHRSRAPSA-N 501.608 4.583 10 40 KJCB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 100086443 USSRVFNYFBPYOJ-UHFFFAOYSA-N 548.492 4.726 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Br)c3)C2=O)c1 103845380 BOYBHJGLEYCMOV-OQLLNIDSSA-N 537.794 4.965 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C(=O)O)cc1 225397079 JSKNTRZPJZAXDA-CLJLJLNGSA-N 561.689 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1 408552165 HSXTXQVXKFOHBU-UDWIEESQSA-N 540.359 4.686 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408812099 LGIYPZWXYVBKHI-CIAFOILYSA-N 579.403 4.798 10 40 KJCB 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524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)OC 409347784 RBGZEHIOSNIPSH-WQRHYEAKSA-N 585.441 4.656 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccccc1 103862826 FOBFNMAQSYMANN-UXAZKMGBSA-N 588.527 4.764 10 40 KJCB CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 254016433 JIJQRBWJNKPMEO-ZUEULMJNSA-N 809.954 4.502 10 40 KJCB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC[C@H](O)c1ccc([N+](=O)[O-])cc1 408527360 DJRLCSIHNRYXKC-GAIMPGTQSA-N 500.599 4.992 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408814852 SLQJNYPHEQBFJX-BUVRLJJBSA-N 509.474 4.699 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408885880 GHEACWZEPMMUFR-KGENOOAVSA-N 585.432 4.590 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1OC 409134389 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10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1NS(C)(=O)=O 225441832 ABRXUZWLNBOGNO-CLJLJLNGSA-N 533.679 4.738 10 40 KJCB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 408785429 YVVHTFKUNHCTPZ-HZHRSRAPSA-N 501.608 4.719 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1 409224558 KZAWVIMLINOZPL-UDWIEESQSA-N 540.359 4.686 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br)Nc1ccccc1F 409375646 NLJVDQPQOKQPGU-LICLKQGHSA-N 572.774 4.926 10 40 KJCB Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)C1=O 409386017 NIBSFRLZJRMJOL-BKUYFWCQSA-N 532.622 4.572 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1ccc(C(=O)O)cc1 1093431 PEDRZLPFYMVTBK-ZDLGFXPLSA-N 541.343 4.946 10 40 KJCB CCOC(=O)c1c(NC(=O)Cn2c(C)c(/C=C3/SC(=S)N(CC(=O)O)C3=O)c3ccccc32)sc2c1CCCC2 97962234 OCOONJZCVRYTLP-CIAFOILYSA-N 597.740 4.991 10 40 KJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 225400653 JEPPXCPRCZLFNK-CLJLJLNGSA-N 532.695 4.741 10 40 KJCB CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O 408539768 YTJHPYQDMCELMC-HKWRFOASSA-N 529.387 4.861 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1 408543725 SKVBGMNQFWSOTL-YDZHTSKRSA-N 530.005 4.961 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br 408769472 MRHIMNCDVIHWBW-VIYYDIFJSA-N 681.565 4.894 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 409217944 FZJOQMJYNPGMEO-DEDYPNTBSA-N 554.784 4.786 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1Cl 409248452 GQFLKAUEUQJRLK-ODLFYWEKSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC(C)C 409249832 PBXLXXSCBUJQFW-MHWRWJLKSA-N 503.418 4.775 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCc1cccc(C(=O)O)c1 409401537 YZQXCYMILDTRSA-WQRHYEAKSA-N 602.235 4.959 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 2992373 PIZSNEAEBMHOOU-YNMQQHPQSA-N 541.673 4.523 10 40 KJCB COc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 9281253 SNMPYFACSAJTOE-UODIDJSMSA-N 503.510 4.544 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 9459373 LGFJBWKXRSDFGU-JSZIULHXSA-N 508.669 4.622 10 40 KJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 225956920 AMERAMLVYKPXJN-UHFFFAOYSA-N 508.095 4.543 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(/N=N/c4ccccc4)ccc3O)c(=O)n2[C@@H]1c1cccs1 408773484 LBDHVJUFJBCXTJ-NLHYFHBKSA-N 530.631 4.981 10 40 KJCB COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 408875662 KZJBVZUIEOVYQS-LPYMAVHISA-N 507.340 4.703 10 40 KJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409064484 DNTUCRBRHILIAF-GHRIWEEISA-N 561.797 4.537 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 409222129 BLOCIMGNMPUNNW-YBFXNURJSA-N 572.774 4.926 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2Br)cc1 409386907 OMQBFIFEHOYYTN-UDWIEESQSA-N 629.261 4.904 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 1008259 KGIVXVZADQDNHN-UCQKPKSFSA-N 503.580 4.864 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 2987408 FKAYUKLALPFOJN-BIWBSIMWSA-N 562.091 4.868 10 40 KJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(I)c3)C2=O)cc1 101002547 PBVYCBQQQXALFG-YVLHZVERSA-N 524.405 4.530 10 40 KJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 101093669 LKZJGFRBMHWSSG-VXLYETTFSA-N 521.458 4.923 10 40 KJCB CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 103001690 PQHOEFVMQZJKPK-JFNLIGNMSA-N 603.240 4.623 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O[C@H](C)CC)c(OC)c3)C2=O)c1 103843376 ZHLCHJRFEAVBSV-CLXYIWAZSA-N 608.429 4.941 10 40 KJCB CCCCOc1c(OC)cccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 108447879 UKGCTCIUXOAIPR-INIZCTEOSA-N 534.517 4.911 10 40 KJCB biogenic O=C1C[C@H](c2cccc(OCc3cccnc3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108449056 QWVCKKJTCIBROA-LJQANCHMSA-N 539.496 4.697 10 40 KJCB biogenic CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 198064804 PTAUOPHUMJIBCD-VABKMULXSA-N 564.377 4.865 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408837802 NWTOATLUHJENFK-SUAMDDGLSA-N 590.101 4.946 10 40 KJCB O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409326715 DUHKGGDWUSBXMJ-SSDVNMTOSA-N 522.652 4.893 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 3668471 KSMCZECVOPYTBV-OINPTKSXSA-N 585.726 4.815 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=O)cc1 9432091 QCEJFGAFMQHVOR-ITYLOYPMSA-N 509.562 4.958 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 100414975 IEBQUBUMHBYULD-HBMCJLEFSA-N 583.765 4.640 10 40 KJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148385 OUYRKALMDCCDGZ-IAPPQJPRSA-N 503.716 4.665 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225412495 OFPUWHRBKBTJDV-UIOOFZCWSA-N 533.679 4.738 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408865289 BVDWOMUOSIIWGJ-YVLHZVERSA-N 617.327 4.593 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(Cl)c1O 408933489 AHKBAKISEBFRPM-VCHYOVAHSA-N 513.333 4.953 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c2=O)=N1 409036008 VBGIOKKGKPSYPP-ABBNRAPFSA-N 511.647 4.514 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c(OC)c1 409068173 KJSLDIITRJTVES-OGMUYLFESA-N 594.737 4.800 10 40 KJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)NC1=S 409171818 BDNFGJDWMAFLCW-GHRIWEEISA-N 510.413 4.697 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409255650 IDAKIEXQGQJESJ-JAIQZWGSSA-N 670.416 4.509 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 97947684 MCSWDIMHFHWWAR-MOHJPFBDSA-N 563.749 4.730 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1 408800537 NSJKAQIDINWRLX-OEAKJJBVSA-N 534.952 4.771 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 409075321 YSQMDQYXACEZLS-QCLXOHTFSA-N 609.748 4.559 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409256137 JVPZIGFUSUEOAH-UNOMPAQXSA-N 536.009 4.506 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409261648 CIZSTPUWFJDXRC-JCMHNJIXSA-N 529.618 4.551 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 409342044 DLYQBUNKQIJMRY-KQWNVCNZSA-N 526.661 4.935 10 40 KJCB O=C(COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)Nc1ccc(F)cc1 618255378 ZQUPTMVWGUWQEN-XUVWKZFSSA-N 536.606 4.740 10 40 KJCB COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 58993204 LJWGGOFRPOOSBA-BZXCCTPPSA-N 522.590 4.791 10 40 KJCB CCOc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 100378889 PDRRVGGXVULFDS-CXUHLZMHSA-N 542.376 4.666 10 40 KJCB CCC1=NN2C(=N)/C(=C/c3cc(I)c(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 100642151 HHOUUXBZIXCIHM-XNPZUMIVSA-N 606.442 4.795 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)NC1=S 408779945 OGVXCHJYQSVRJD-FYJGNVAPSA-N 551.418 4.866 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 408876163 JPGUMMJVDTWEJZ-FYJGNVAPSA-N 521.367 4.724 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408901636 ZIUHHWXQOKWNQY-FYJGNVAPSA-N 625.419 4.682 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 408913931 WCMDEGTWUHRWJT-KEBDBYFISA-N 538.915 4.821 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1C 408992966 UHFRBEXEQZUAPA-FYJGNVAPSA-N 546.630 4.774 10 40 KJCB COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 409011868 ORMRGKOFBOSOQW-ZVHZXABRSA-N 541.025 4.593 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409034703 NVHKICZJZRXRDA-IMUCPKNRSA-N 643.762 4.788 10 40 KJCB CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OCC(=O)O 409050459 VZCAHIRAFLNUFC-ONNFQVAWSA-N 596.246 4.655 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409267317 STWJIYVSEPEBGV-HAHDFKILSA-N 514.669 4.957 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC 100341847 ZKBLWCUSYZPXHQ-WOJGMQOQSA-N 569.442 4.956 10 40 KJCB O=C1C[C@@H](N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)C(=O)N1c1cccc(C(F)(F)F)c1 100972120 CUJFPZITKYZMQP-IKNVNQONSA-N 501.511 4.720 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C 225263270 AWGQOUCZNPLJRY-WUFINQPMSA-N 526.666 4.955 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1 225884767 ZKXJNEJBLZLZIL-LJQANCHMSA-N 512.503 4.698 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 408534924 MXSAQGOBALNYEO-QZTGBSOPSA-N 520.900 4.773 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 408803379 OFTMSTKCYLOQGU-UDWIEESQSA-N 507.886 4.502 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 408892994 DUELEPXYQFOLOD-UDWIEESQSA-N 552.942 4.910 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408912801 SASWFNSWGZCJOI-DJKKODMXSA-N 617.327 4.593 10 40 KJCB 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CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Br)cc1 103857052 MADNAXPJIHYZJG-UHFFFAOYSA-N 568.287 4.788 10 40 KJCB COC(=O)c1c(NC(=O)CCC(=O)OCC(=O)c2ccc(OC)cc2)sc2c1CC[C@@H](c1ccccc1)C2 113628055 XSJSAWLYFWQFRH-HXUWFJFHSA-N 535.618 4.961 10 40 KJCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cc(C)cc(C)c2)cc1OC 113633208 QFUVAEQPBASPGJ-UHFFFAOYSA-N 551.709 4.823 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1 225220251 MOAGFWMTXZAYPD-IZLXSDGUSA-N 526.666 4.955 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225542945 VEXLHOAYTFBCBK-YADHBBJMSA-N 513.704 4.526 10 40 KJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 408692497 NTZPLRYUQDRZQE-WOJGMQOQSA-N 550.780 4.928 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 408788444 FQDBXEPKJUJDQJ-LDADJPATSA-N 545.377 4.669 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 409220345 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Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)c1 409248420 GJJFATXFVYRYOC-STZFKDTASA-N 548.393 4.750 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 409252284 RNXRHFQWAJPBRJ-WQRHYEAKSA-N 526.401 4.842 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 409374996 CTAROQURNAWGEX-MOSHPQCFSA-N 533.968 4.649 10 40 KJCB O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1ccccc1Oc1ccccc1 3265418 SGYKNORCJMVUCO-UHFFFAOYSA-N 524.576 4.842 10 40 KJCB CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1Cl)C(=O)Cn1nnc2ccccc21 6074557 MAGCJSSBDUDMKQ-GDLZYMKVSA-N 575.113 4.606 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(CN4C(=O)c5ccccc5C4=O)c3)C(O)=NC2=S)cc1 97967166 UGTVPKVILLAWLU-HAHDFKILSA-N 541.585 4.562 10 40 KJCB COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(I)c3)C2=O)c1 101002679 BROIDZAGAQYFDK-PDGQHHTCSA-N 538.432 4.920 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 103849996 FEFVNDLKNNNBJK-VXLYETTFSA-N 543.320 4.981 10 40 KJCB CCOc1ccccc1N(Cc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1)S(C)(=O)=O 222795463 YOZHHXBLJACXIZ-UHFFFAOYSA-N 509.672 4.828 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br 223141510 CMLORQJUOICXTJ-DQEYMECFSA-N 540.531 4.556 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(=O)O)c1 225397021 HXTJYTQURZOIPP-UIOOFZCWSA-N 561.689 4.736 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Br)c(C)n(-c4ccccc4)c3C)C2=O)cc1 408846465 JWMQCPYRVTZIHS-KGENOOAVSA-N 508.372 4.922 10 40 KJCB Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1 408944814 VLIJTVQLDJGBOJ-FYJGNVAPSA-N 535.350 4.701 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 409022269 LTBDAZOCYYVQQR-PQRKSKNISA-N 586.783 4.994 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 409406118 AJGSSJXSDGTREL-WOJGMQOQSA-N 587.180 4.800 10 40 KJCB CCN1C(=O)/C(=C\c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778023 APRIJGYAZYODOI-BRPDVVIDSA-N 610.736 4.549 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 57015923 JWWSIDBFOPYJAT-HOYKHHGWSA-N 506.093 4.640 10 40 KJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 408527097 DYZFOWBWWPCEDV-WQRHYEAKSA-N 523.774 4.971 10 40 KJCB Cn1c(=O)n(C)c2cc(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)ccc21 408534447 QWIVAXQDKWRYSA-RCCKNPSSSA-N 604.505 4.686 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 408742890 TZBOVGVEBFKBCC-LFYBBSHMSA-N 561.049 4.511 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)cc1 408801834 CDTPKDFGKJEJBE-FYJGNVAPSA-N 521.913 4.892 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)C1=O 408900318 VCKGHJMRURWFMT-ZHZULCJRSA-N 569.433 4.754 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409041512 AKJXQVUKAFEVPV-SPLCHINYSA-N 664.180 4.810 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 409070307 NWPIXHFUVGGFHU-UDWIEESQSA-N 635.876 4.944 10 40 KJCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 409082206 RPZRZICWHTVIAO-XGLKJEJJSA-N 582.726 4.737 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409253314 WVYCMZIIOXSOHL-ZDLGFXPLSA-N 569.357 4.894 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409407569 MRDQYSDXGBHKCC-NDENLUEZSA-N 537.366 4.586 10 40 KJCB CCOC(=O)c1c(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)sc2c1CCCC2 12615676 NPMJGFXMZNQTBG-UHFFFAOYSA-N 504.520 4.740 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100416788 NQRWURDKCRNNDO-VABKMULXSA-N 530.374 4.761 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 103851968 KEFWJKXTVCPXKW-LDADJPATSA-N 588.398 4.849 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccccc1C(=O)O 225396786 CWAJYKHQENWOGP-FTJBHMTQSA-N 561.689 4.736 10 40 KJCB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)s2)cc1 225603753 HLBLAMYUSRZLEE-UHFFFAOYSA-N 513.000 4.784 10 40 KJCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)CC1 225867705 UFWOXOUUFVPVCU-INIZCTEOSA-N 520.080 4.720 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)C1=O 408537015 UIQQCGKWBLDYQP-RGEXLXHISA-N 535.350 4.652 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1 408801352 ADAQUANWLOIUCS-MFKUBSTISA-N 528.561 4.734 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)c2C)c1 408967835 VDVVPSLUMKWJBJ-IMRQLAEWSA-N 588.686 4.782 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2=O)=N1 408980547 FNLBGQCYGOKCTG-ZCWBPALNSA-N 590.101 4.976 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408980577 FSPCVXHEWJISMM-FHQMNNMHSA-N 569.683 4.551 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)c(C)c4)c(=O)n32)c(OC)c1 409068166 KJSLDIITRJTVES-ASUJOLEISA-N 594.737 4.800 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1Cl 409073144 XQPQAUIJHLCXFK-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccccc1 409346550 KMBADSLFFBVPSI-YVLHZVERSA-N 508.415 4.713 10 40 KJCB Cc1ccc(S(=O)(=O)c2nc(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)oc2N2CCOCC2)cc1 1870916 BMKKSDLNRZIZEK-XSFVSMFZSA-N 576.121 4.707 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1 8399362 SXABGJNFMSIQQJ-OGMUYLFESA-N 618.715 4.988 10 40 KJCB CN1C(=O)C(=Cc2ccc(OCc3cccc4ccccc34)c(I)c2)C(=O)N(C)C1=S 100222464 RLSQCIRJBGENNY-UHFFFAOYSA-N 542.398 4.622 10 40 KJCB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C3\SC(=S)N(C4CCCCC4)C3=O)CC2)cc1 100762416 QHGMQYFVAIKZHN-PLRJNAJWSA-N 575.760 4.872 10 40 KJCB CC(C)N1C(=O)c2ccc(-c3ccc(/C=C4/C(=O)N(c5cccc(C(=O)O)c5)N=C4C(F)(F)F)o3)cc2C1=O 105992016 HJMWIBWSBUXWSR-UDWIEESQSA-N 537.450 4.998 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)O 225506335 KLGIPHKWUBWJDA-SVBPBHIXSA-N 525.634 4.799 10 40 KJCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408528004 DUGGODUAMNPMBZ-NKFKGCMQSA-N 521.625 4.930 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408781374 CAPJHQUSMUAEIX-PKAZHMFMSA-N 526.589 4.894 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1OCC 409249494 JJVHNJHWRXCKND-JJIBRWJFSA-N 557.603 4.866 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 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CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408870508 SSEMIDMLXWIMBR-YBFXNURJSA-N 548.423 4.560 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408891945 WCUUIXNFBXYOPR-PDGQHHTCSA-N 558.971 4.620 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1 408899578 QPEZHCWLWVVDBM-MFKUBSTISA-N 528.561 4.734 10 40 KJCB CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1OC 408900792 VBRJDFPHEXKMQW-ZSOIEALJSA-N 538.192 4.594 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409073914 UNJZHJHUWGBAEG-NLTKXKDSSA-N 553.684 4.560 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC 409342449 DIBWDLFHXSQDLA-WQRHYEAKSA-N 569.442 4.956 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409379705 ZOVLUZMHCJXHNS-XDHOZWIPSA-N 537.931 4.562 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C 4092148 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O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 26840916 HGDISXRSEUCRCS-FYJGNVAPSA-N 515.572 4.617 10 40 KJCB Oc1ccccc1CN(CCNC(=S)Nc1ccc(F)cc1F)CCNC(=S)Nc1ccc(F)cc1F 97981336 KILFJKGBAOOOPH-UHFFFAOYSA-N 551.635 4.724 10 40 KJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223689746 ORTJBKSRJHJLJV-XZOQPEGZSA-N 513.461 4.787 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408868046 NBHPOHTWMKXSSE-CIAFOILYSA-N 567.367 4.641 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409065892 KYIWRPOJIQAPII-VXLYETTFSA-N 511.317 4.937 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409078573 IIQWNQIVMFCPLD-LZYBPNLTSA-N 556.846 4.763 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OCC 409238492 DRMNCMZBCOPTAK-MHWRWJLKSA-N 503.418 4.695 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)cc3)C2=O)cc1OCC 409384104 BAKCDSVWLWXHPQ-HAVVHWLPSA-N 573.602 4.567 10 40 KJCB Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cccc(Br)c1 409388938 YIJKDLXKSRVRCS-NDENLUEZSA-N 502.434 4.905 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 2987410 FKAYUKLALPFOJN-ZGOFBEGVSA-N 562.091 4.868 10 40 KJCB Cc1ccccc1OCCn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 8777625 JEOTXEZYXMOWJL-DIBXZPPDSA-N 557.672 4.567 10 40 KJCB Cc1ccc(S(=O)(=O)N2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 13800972 HRYFAKMEKCZWCO-DQRAZIAOSA-N 506.630 4.502 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100416795 NQRWURDKCRNNDO-RJGXRXQPSA-N 530.374 4.761 10 40 KJCB Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 100762845 OPWOYFBPGRODFW-OYKKKHCWSA-N 556.669 4.788 10 40 KJCB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 101002689 RQSOHBDQUMHGHQ-CLCOLTQESA-N 555.722 4.814 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Br)cc1 103857215 FCMCZDIGJYZUNH-UHFFFAOYSA-N 568.287 4.788 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1NS(C)(=O)=O 225494008 AMKZUQPUUQPRSL-IZZNHLLZSA-N 533.679 4.738 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1 408884368 YTSMQKXIKVTSCS-FYJGNVAPSA-N 522.916 4.901 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1OC 409125869 GCRWNEHSKXFDLI-BUVRLJJBSA-N 545.548 4.633 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1 409236897 GRQQLVVEVZXPSA-CIAFOILYSA-N 507.999 4.674 10 40 KJCB COc1ccc2c(c1)c(C)c(C(=O)N1CCC3(CCCCOCCNC(=O)c4ccccc4OC3)CC1)n2C 643563900 HABGOWAGFPYDCQ-UHFFFAOYSA-N 533.669 4.727 10 40 KJCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 97946743 QUOQCISKRUOLAJ-QJOMJCCJSA-N 597.678 4.699 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc(I)c1OCC(=O)O 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CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 409056567 HIGSIIBNZFMNAL-RBRLEXCSSA-N 545.705 4.576 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC 409129458 JSEPHUPZBXSARS-HYARGMPZSA-N 629.087 4.966 10 40 KJCB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)ccc1Cl 409150473 BWAUNPFALPQAQU-CIAFOILYSA-N 514.003 4.710 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 409173939 PUJPOJRTFAZPRV-JCMHNJIXSA-N 503.605 4.559 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)C(=O)NC2=S)cc1 409384605 DHXSQXIWJBBJOH-BUVRLJJBSA-N 509.587 4.782 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC 2193039 WDFPVYWGRPRRLF-ASZNLBCTSA-N 559.663 4.744 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6545199 BUIDUPYJMXCJOV-RISWYLRJSA-N 593.061 4.686 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCCCC3)nc12 12343986 BFHJBEKIMAIZNJ-PYCFMQQDSA-N 504.681 4.827 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@H]23)cc1 18266883 JJFVBYQYOZEZDB-FDFHNCONSA-N 505.448 4.709 10 40 KJCB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)sc2c1CCCC2 101125731 SCUKSXPNAKBVMB-DSITVLBTSA-N 531.634 4.531 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408895318 FCOGZHPUBWZKHM-CIAFOILYSA-N 625.419 4.601 10 40 KJCB CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 409043710 AAKLINKOELMJIW-LZYBPNLTSA-N 567.190 4.821 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl 409063265 JQLDCAIUFDXEHU-ZSJKCPIUSA-N 577.062 4.767 10 40 KJCB CN(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496347 YZWJNGQRVWEGBV-VWLOTQADSA-N 502.692 4.766 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18007780 SBJMOADHEGSXKL-VJBWXMMDSA-N 564.377 4.865 10 40 KJCB CC(C)(c1ccccc1)c1ccc(OCCn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)cc1 41077958 UABIJWWXOZEPIK-UHFFFAOYSA-N 509.631 4.961 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 101133355 SBJMOADHEGSXKL-YTFSRNRJSA-N 564.377 4.865 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 163657971 JRFRFEYVODZEFE-UPWSPCOFSA-N 683.568 4.828 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223144155 QCMJXVBVLQSXDG-FQLXRVMXSA-N 532.758 4.640 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br 223184894 SVGRSDRRVYGCKK-UIOOFZCWSA-N 554.558 4.946 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 225506529 UYUARWIUEJXWHA-KAYWLYCHSA-N 525.634 4.799 10 40 KJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408844957 DQCDMKIAARTIMO-UKTHLTGXSA-N 558.237 4.529 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408903642 VGQKHQONOVHAJK-RGVLZGJSSA-N 555.921 4.701 10 40 KJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)NC1=S 409245578 WBHQBNSRWDUQNI-UDWIEESQSA-N 541.414 4.838 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409254604 IZWRYWJYVWIUGK-KEBDBYFISA-N 554.386 4.994 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 409270388 FFQKZNCQTQFVEP-UDWIEESQSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409374801 ZOYVXJOSTBRBFH-VXLYETTFSA-N 570.352 4.590 10 40 KJCB Cc1c(Cc2ccccc2)c(=O)oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)c(Cl)cc12 524729662 CSMZVLWNIYVCRA-UXHICEINSA-N 502.998 4.832 10 40 KJCB biogenic N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 1867550 MBYVZXGBKTXEFX-DGXSBDJDSA-N 514.239 4.799 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)SC1=S 2958006 NOSUYEMLPFTOCY-BOPFTXTBSA-N 575.471 4.597 10 40 KJCB CCCOc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 8443649 CLEBQXSKLOKEJP-YBEGLDIGSA-N 538.192 4.675 10 40 KJCB CCCCOc1c(OC)cccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 108447883 UKGCTCIUXOAIPR-MRXNPFEDSA-N 534.517 4.911 10 40 KJCB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 163721052 YFYKKMAHXBMFMV-CVGPFBNFSA-N 649.405 4.788 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cc1ccccc1Cl 408874355 BLJRASGANRZJIZ-CIAFOILYSA-N 505.914 4.904 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F 408882827 SJBYYMRJFTXBAZ-YBEGLDIGSA-N 590.320 4.823 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 408885642 DGATZYCFJNMCJS-VCHYOVAHSA-N 540.301 4.742 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408893486 AUHJBTHCQXLEET-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)C1=O 409067875 DKOJDRRRMZLWHK-NDENLUEZSA-N 531.373 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409070625 CYQJGBOMAKEKJY-YBFXNURJSA-N 621.849 4.554 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(OCC)c3)C2=O)cc1 409259523 ADHGDAAYOIYHOO-LFVJCYFKSA-N 557.603 4.785 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1C 409262730 JRVSHYGYTDVXDC-BKUYFWCQSA-N 564.461 4.915 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 409265793 PFWCLHHAISEZHA-NDENLUEZSA-N 578.419 4.758 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 409376350 XKADLLBCLVKYMG-XKZIYDEJSA-N 533.968 4.649 10 40 KJCB CCc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100415348 VBFSYKULYAAZOX-VABKMULXSA-N 530.374 4.707 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408723630 YJIFFLSZKNNCQF-RQZCQDPDSA-N 554.924 4.789 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409059944 YZSWGXPAARFNAR-OCEWKHMESA-N 536.097 4.749 10 40 KJCB COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c(OC)c1 409060621 VLXHBPYTZBYHLB-OGMUYLFESA-N 594.737 4.800 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1OC 409122625 AJMVTDZHIANYDV-HZHRSRAPSA-N 629.087 4.966 10 40 KJCB CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 100763511 OMOSOFCTSMIQMX-ZSYKKXJESA-N 554.141 4.983 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NC2CCCCC2)cc1 408774619 CJJPMVWYVBXXEO-ONUIUJJFSA-N 502.611 4.696 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)ccc1OC 408835696 YAAAEAVJWFNXHM-KGENOOAVSA-N 506.942 4.993 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408844320 CDBYTKJIIXGREY-USDTVRPUSA-N 599.709 4.691 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 408939482 SSJWBHHHTNKFOI-RGVLZGJSSA-N 630.366 4.773 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 409190905 BCHZXUUGKVISSW-QTTRZTASSA-N 606.100 4.564 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 409258901 YDQSARMMDBBODR-NDENLUEZSA-N 524.360 4.986 10 40 KJCB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1 4510733 PPNMTUTWKOTQHT-XLNRJJMWSA-N 529.659 4.554 10 40 KJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 101095224 WHCNKJIZBNNEKO-VXLYETTFSA-N 521.458 4.923 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1 225216831 QRHKPFGBYZSBAP-IZLXSDGUSA-N 555.660 4.949 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408851903 BJAXGKMVDHFRLK-SRZZPIQSSA-N 626.403 4.860 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408888308 YUBZJNLVKKEZGL-DEDYPNTBSA-N 575.824 4.845 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 408916290 BCTYHWVBJUMZCB-UDWIEESQSA-N 545.377 4.669 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 409062189 PJHQKNBPRKWHNN-OAAUXFBMSA-N 579.722 4.935 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409074706 UUNJXVGILDSOST-DEDYPNTBSA-N 561.797 4.537 10 40 KJCB CC(C)CN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccc(Br)cc23)SC1=S 409127090 QDCZNCZPGHQQTB-BZGLTBHUSA-N 536.517 4.556 10 40 KJCB N=C1/C(=C\c2cc(Cl)ccc2OCCOCCOc2ccccc2)C(=O)N=C2SC(C(F)(F)F)=NN12 1771036 GYUPXYFMWMFIOL-SOCWNFFVSA-N 538.935 4.996 10 40 KJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 13801248 NJSAIEZYGYMNSV-BBEAQGETSA-N 511.621 4.703 10 40 KJCB CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1cc(I)ccc1S2 19801744 LIMCNUXBDPXQLR-NRFANRHFSA-N 508.469 4.773 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 100708001 ZRPGTTSPJMYSLQ-VABKMULXSA-N 530.374 4.707 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 101113798 GEJXYVDYHQRDAH-BHDDXSALSA-N 597.792 4.635 10 40 KJCB CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C 223655940 BEPDHZYBPNBQOT-KAYWLYCHSA-N 505.688 4.871 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccn1 223924135 WRQWRWFLJGBRBC-WUFINQPMSA-N 510.667 4.898 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(I)c2O)C(=O)NC1=S 408740356 FTQSWLWWXFJMJM-SDQBBNPISA-N 577.625 4.552 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 408808801 GCNSJWPMTNSQQG-CIAFOILYSA-N 522.311 4.603 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 408980970 GXKHDCQAKNDRRW-XQNWCSQWSA-N 541.673 4.523 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)cc1 408985200 JYLDAXQORNGEMJ-XKZIYDEJSA-N 539.373 4.928 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1OC 409033786 LSNWNSMZJRZJSR-RUDMXATFSA-N 538.210 4.810 10 40 KJCB COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc5ccccc45)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 101110682 SNMPYFACSAJTOE-GSDHBNRESA-N 503.510 4.544 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 101127748 WLWMYIIBGNSDNT-PPPJDECASA-N 535.944 4.769 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 103859057 JZDNXLFHRJCSBX-CIAFOILYSA-N 536.382 4.618 10 40 KJCB CN1/C(=C\C=C\c2n(C)c3ccc(C(F)(F)F)cc3[n+]2CCCS(=O)(=O)O)N(CCCS(=O)(=O)O)c2cc(C(F)(F)F)ccc21 150360784 HMDBMTOGXUNXIX-UHFFFAOYSA-O 683.673 4.870 10 40 KJCB Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223189069 JQZSFBPCDWDSTJ-WUFINQPMSA-N 503.716 4.801 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408777780 ISKVFDOJTDGSPA-OOAXWGSJSA-N 510.590 4.692 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3cccc(F)c3)C2=O)cc1 408867763 NGPFFJXCNRKZGZ-HYARGMPZSA-N 509.331 4.854 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c2=O)=N1 409036987 WUWMIOPHGBFQRV-DBXPASCUSA-N 511.647 4.514 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 409060723 UKLZKEATICFXKH-NQCZSQBNSA-N 526.687 4.536 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)C1=O 409075443 VOJQVONPSFDHQF-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 409223083 GGKIHXRTFGKOBT-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB CCCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S 409231081 IDQALEHBPIGVNX-PDGQHHTCSA-N 568.458 4.929 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)SC2=S)cc1 409345670 ISUOPKUKUFSFAZ-BUVRLJJBSA-N 563.657 4.576 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Br 20032516 DTXUMZWXIDTCSO-SNMDACFJSA-N 500.374 4.692 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100230394 GMHSOIZFNQANKB-DEDYPNTBSA-N 585.432 4.590 10 40 KJCB CCOc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 100790068 RVLCCRMZWRYYPK-IZHYLOQSSA-N 529.643 4.842 10 40 KJCB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408586475 AIYWUYCKEWLFJY-GOSISDBHSA-N 515.031 4.911 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2Br)cc1 408900497 TUVNYCOUESKDDM-FYJGNVAPSA-N 548.393 4.750 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(Cl)c1OCC(=O)O 408953975 QSIOQWUAQSNKKK-LSFURLLWSA-N 565.022 4.946 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)c(Cl)c1 409150012 YDAIQTRHTUNNES-VXLYETTFSA-N 542.978 4.851 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409256527 LVMQDHVNWLAOFG-UNOMPAQXSA-N 656.873 4.972 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 100275733 DOAAYTKNZJNBFJ-UUASQNMZSA-N 521.161 4.818 10 40 KJCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 100763656 LSEAUTGHOUFVJP-CEZZIEKDSA-N 554.141 4.983 10 40 KJCB Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 100863370 LEHFEZNFGNYKHB-ULJHMMPZSA-N 547.750 4.572 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 408811640 OBKLBJSFNQYTPH-UDWIEESQSA-N 522.311 4.603 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408850699 CQRJAHASDZQLDS-PKYOQBLNSA-N 600.697 4.901 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)c1 408853745 RDDZKMXRCURCNN-KGENOOAVSA-N 608.445 4.930 10 40 KJCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408899346 OOSIBNPOVTWGPF-ZNBBLSJYSA-N 501.377 4.918 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)O 408902944 SNNUDIMPQXZATR-MHWRWJLKSA-N 541.388 4.559 10 40 KJCB O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1)NCc1ccccc1 409255442 ZTUFHDIMHOEMAN-CFRMEGHHSA-N 518.616 4.512 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409258177 UCRYFDDTBXZXPP-NVMNQCDNSA-N 541.434 4.695 10 40 KJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O 409332382 QYZZWCDMWPUMIF-WQRHYEAKSA-N 508.415 4.805 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1 409400966 WPCGQKMYDUMIQR-WQRHYEAKSA-N 526.774 4.581 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 661929 KYBSPCLZTCGKKA-LPYMAVHISA-N 575.046 4.782 10 40 KJCB Cc1cc(C(=O)[C@@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OC(F)F)cc1 103058786 MCBSXCQNBDOOFO-QGZVFWFLSA-N 529.496 4.538 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 164402067 UTUDXOKPBLXSSC-LZYBPNLTSA-N 632.407 4.578 10 40 KJCB CC1CCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)CC1 223688465 XXSAZZWYNDIFKH-MRXNPFEDSA-N 520.080 4.720 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccccc5C)c4C)c(=O)n32)cc1OCC 408932763 DWSSNSJSWAVFIU-FHGOPSEHSA-N 571.699 4.531 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409054204 IBMDJHMWKGYWPP-STGXNMSHSA-N 565.695 4.544 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409253995 CTEOWVRXPKKVKF-NHDPSOOVSA-N 684.443 4.899 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)O)o1 409385870 NUJHMZNIZZHOQD-NTEUORMPSA-N 547.372 4.704 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 3668473 KSMCZECVOPYTBV-FWESEHMYSA-N 585.726 4.815 10 40 KJCB CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 8859271 INLZGUNGDMTXRA-TVJQZGFISA-N 508.669 4.804 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1Cl 9455027 ZBJBROBCVQRZRT-SHSFFGECSA-N 503.971 4.990 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 97958079 CGBGUWPXSAKVOT-UXAZKMGBSA-N 544.076 4.655 10 40 KJCB O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 102992896 XRAXPXCHTIQRLO-HZHRSRAPSA-N 528.634 4.798 10 40 KJCB CCOC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]32)cc1 229843830 CMQSKNSNHUSXBC-XJUOHMSHSA-N 564.377 4.865 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408808103 DZLLHMMRWVZKIW-CIAFOILYSA-N 506.942 4.911 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408879325 DHIVIHURYORTNJ-JCMHNJIXSA-N 515.522 4.801 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408901317 XEHVFXIWPDJMBE-STZFKDTASA-N 599.459 4.899 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 409084068 WIFCJQPHNFRUQK-CXUHLZMHSA-N 598.278 4.632 10 40 KJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)NC1=S 409173772 RUZKPQHUJQHJRD-XDHOZWIPSA-N 510.413 4.697 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1Cl 409267539 NLSGIELTLFNZPA-MTJSOVHGSA-N 524.360 4.986 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409372947 OFKGMVIDQRXJRM-YDZHTSKRSA-N 571.502 4.958 10 40 KJCB Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1Cl 9458986 VBEYXKVNFUVTIF-XQWBAOJFSA-N 522.030 4.859 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccccc2)c2ccc(Br)cc12 104881928 MXNZPESSBMLHQO-LPYMAVHISA-N 534.366 4.738 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC 105497738 IEOCFIMGORUDEG-BRSLHEPESA-N 584.654 4.937 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408858974 UUJVNQWIJVXZNG-LDADJPATSA-N 531.229 4.834 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408978948 BBPMTLCZKDOXCB-KEPJHFNWSA-N 571.699 4.531 10 40 KJCB COc1ccc([C@H](Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)N(C)C)cc1OC 604404392 MVMMQMZPAZNOKN-NRFANRHFSA-N 514.578 4.550 10 40 KJCB biogenic Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1 2142493 NPOGEGFJCUTCEB-UHFFFAOYSA-N 535.485 4.632 10 40 KJCB COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCCOc3ccc([N+](=O)[O-])cc3)C2=O)cc1 13893216 BSLXMSLUCVILPR-JWGURIENSA-N 503.467 4.568 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 59595919 ZTNKAUAQIMBEQD-OEAKJJBVSA-N 511.603 4.847 10 40 KJCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 97946315 WAFFNGQZMJFKLV-XIBJSWNYSA-N 557.786 4.555 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1 223127317 URUWIBJSQYLKQQ-RPBOFIJWSA-N 529.632 4.813 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 408773327 QPBAPLAUEZGVJB-RGVLZGJSSA-N 586.357 4.993 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408854178 ZDMQGXTUZFNIEW-GIJQJNRQSA-N 511.317 4.968 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)c(Cl)c1O 408896767 HWYUWQULIDDPAE-KPKJPENVSA-N 500.132 4.527 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089122 LWBXDVUAUGYRCK-LICLKQGHSA-N 644.334 4.965 10 40 KJCB O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)N3CCOCC3)SC2=S)c1 409095136 BNEDRGXOWHLDCD-KOEQRZSOSA-N 577.659 4.721 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409141215 MPWMAYMUPBZUGD-BKUYFWCQSA-N 620.086 4.879 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1 409381403 FWNYYFIEVWGZKY-LPYMAVHISA-N 624.444 4.549 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 409401774 ZUQSKILMRYYIBN-IUXPMGMMSA-N 572.209 4.981 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 4091207 VGBHKWPTSIHOCH-NJYVYQBISA-N 536.765 4.798 10 40 KJCB Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 9461058 WPFZIMUOTKSDLY-JWGURIENSA-N 522.696 4.674 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 163717749 YYDZORDAXAYMAR-RISWYLRJSA-N 637.512 4.795 10 40 KJCB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 260802987 VBWNZBILCSUYRK-URVUXULASA-N 504.096 4.854 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408809360 GZIFUJKIDMCSIR-CIAFOILYSA-N 534.952 4.689 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)C2=O)cc1 408991062 MNXWMCLFPKEMRX-LFIBNONCSA-N 506.521 4.924 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409018695 IHBRLAAPPWUBSU-LPYMAVHISA-N 598.837 4.828 10 40 KJCB COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 409019637 VIEBAORJGPQTDG-TZUCAZQYSA-N 585.726 4.920 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1O 409149438 GFTDCRKQJIBFIB-REZTVBANSA-N 523.474 4.612 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409241325 REWVXKALAYBUGF-LICLKQGHSA-N 503.418 4.811 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409266716 QZAPTCXRDDAURM-YBFXNURJSA-N 524.360 4.986 10 40 KJCB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12 103101456 FMNFNXOFELYOJD-UHFFFAOYSA-N 521.554 4.966 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)c(=O)n32)cc1OCC 408932202 BOERIDAFJUAEII-HJRUQSCCSA-N 585.726 4.840 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OCC(F)(F)F)c2=O)=N1 409029727 ASKZPIPEANFDMC-GJFKPFFXSA-N 573.637 4.586 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409086027 PSTLEXLCKBSRSS-ZWTBYVTRSA-N 644.588 4.520 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1OC 409219153 JQAUCZYNUSWWBG-HZHRSRAPSA-N 563.994 4.821 10 40 KJCB CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N(C)C1=S 59139357 MUSFKLWQBBHTMQ-UHFFFAOYSA-N 514.228 4.934 10 40 KJCB COc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)c1 97958719 UGIVKBNAEAWLRC-PSKBPPSXSA-N 558.616 4.860 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccccc1 408531408 GVQIXRBKUUHLBU-XSFVSMFZSA-N 535.350 4.733 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cc(C)cc(C)c3)C2=O)cc1 408870408 VLLWNOUBPLDRTJ-YZSQISJMSA-N 512.562 4.746 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1Cc1ccccc1F 408883908 RTYBIPRZDOAKDS-UDWIEESQSA-N 509.331 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C)c1 408952417 NSIWCPSYNAZNCU-DJKKODMXSA-N 612.376 4.582 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409087889 ILXUJRBGELRYGE-MHWRWJLKSA-N 552.883 4.932 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409262890 GBVOUXPIVIKKCN-ZHZULCJRSA-N 517.969 4.949 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC 409334420 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COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1ccccc1C 13940180 OQGZURWWDOOZGY-QNGOZBTKSA-N 506.942 4.781 10 40 KJCB CCOCCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 97946388 FBYMBODDLPXHRM-NKFKGCMQSA-N 584.167 4.611 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225518582 SGNCZEVYYNEDNJ-VSGBNLITSA-N 539.661 4.887 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2cccc3cccc(c23)C1=O 408534991 XBJIKACLEAPANT-YZSQISJMSA-N 560.610 4.575 10 40 KJCB COc1ccc(C2=C/C(=C\c3cc(I)cc(I)c3OC(C)=O)C(=O)O2)cc1 408743751 UWZMAIXNBRDMNI-VGOFMYFVSA-N 588.135 4.811 10 40 KJCB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)c1C 408757052 ZKEVFWAJLDCDNW-XDHOZWIPSA-N 523.339 4.779 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408798427 IGHBFEDPJQUBNP-VCHYOVAHSA-N 513.333 4.953 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 408896945 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4.963 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O 225484685 ODSIQGXYYGIIRP-SXOMAYOGSA-N 562.721 4.750 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C2=O)cc1 408536552 RYPUFPCGECNTLD-VCQCOGNXSA-N 502.910 4.634 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)OC(C)C 408601151 ITVGELVALCUJMM-UHFFFAOYSA-N 530.602 4.774 10 40 KJCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c3ccccc32)c1 409022173 HOHAIZPSIJBFEZ-YDZHTSKRSA-N 512.566 4.559 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1C 409377451 IEWKARDYZXIXRW-MOSHPQCFSA-N 566.383 4.889 10 40 KJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)c1C 409381763 JKKLMRWMSVEALJ-LDADJPATSA-N 538.000 4.945 10 40 KJCB CN1CCN(C(=O)CCN(C)c2cccc(C(F)(F)F)c2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O 643568181 NTGRWILUECXPBV-UHFFFAOYSA-N 624.704 4.952 10 40 KJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 20105281 XUELHNRJFYWLQB-UHFFFAOYSA-N 524.514 4.842 10 40 KJCB COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 58993158 DKZCPDRGOMCJFO-HGNJXLJLSA-N 522.590 4.791 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc(Br)c1OC 97960999 OXKWALSNDNJAOW-NTUHNPAUSA-N 526.206 4.900 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc(Br)c1O 97961000 VRIDCJLVUZMYIJ-WUXMJOGZSA-N 512.179 4.597 10 40 KJCB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)Nc2ccc(OC(F)F)cc2)c(C)c1 97981307 UEBPKMJKUSJULZ-UHFFFAOYSA-N 537.570 4.927 10 40 KJCB Cc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)c1 101122842 RSBICWALSIEUJM-PWDQIPGLSA-N 540.649 4.660 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 163639706 BKYXYSZIVIKXGZ-ZJTZAHLKSA-N 683.568 4.828 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164369375 LJRLDIXJHQEAFT-PXNMLYILSA-N 648.297 4.714 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 223523836 JCMSWWCCGDAENY-VMPREFPWSA-N 524.694 4.893 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)ccc1NS(C)(=O)=O 225427794 KWKSGEWYMFLIPY-SVBPBHIXSA-N 591.715 4.745 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408768919 LXYBKIDIOCDMRB-RGVLZGJSSA-N 565.376 4.710 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 408823908 FUZZBZCVPLFRRD-XQNWCSQWSA-N 525.674 4.823 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 409002022 RZALCFVFIJGIMV-CXUHLZMHSA-N 712.209 4.979 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409038820 BHOPHOHENOXRMS-MTJSOVHGSA-N 533.968 4.649 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1 409062095 NHMAWEVSGUKZEJ-ZEZCTPEWSA-N 597.737 4.577 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)C1=O 409071640 KTGBVUQZSXTUEW-QGOAFFKASA-N 531.373 4.736 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409075374 XRAPTJZQOBVOTI-UDWIEESQSA-N 520.925 4.682 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c(OC)c1 409093700 AOMYUIARGNZVQF-GZTJUZNOSA-N 513.369 4.558 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccccc1F 409377207 FQMRGRNFEJAWRY-GZTJUZNOSA-N 544.391 4.981 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 9339713 LMHFYEPBRJEKQF-UCQKPKSFSA-N 519.941 4.552 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1=O 408537363 VMXDYAHGSWZKEO-KOAZRBSPSA-N 592.358 4.651 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(C)c1 408692071 CTNWYXXCEAWETL-YBFXNURJSA-N 560.388 4.592 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(C)c3)C2=O)cc1 408815286 PXRLKXMLARMDHO-HYARGMPZSA-N 549.377 4.790 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408835128 MNKVVUZGMNZGPR-JLHDDXNDSA-N 613.736 4.780 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc34)C2=O)cc1 408894622 ILPWLNUGMNABHS-KOEQRZSOSA-N 542.569 4.591 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409227193 UBQDIBLBQFTSMI-YBFXNURJSA-N 540.359 4.686 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409267018 RIJOIKAGOQRNCA-BKUYFWCQSA-N 533.968 4.649 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1ccc(I)cc1 409374247 ZXJLHVRKMXHYJO-UDWIEESQSA-N 572.355 4.524 10 40 KJCB CCOC(=O)c1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccc(OC)cc2)CCCC3)cc1 3316013 OAQGTGKSLCRIRJ-UHFFFAOYSA-N 514.625 4.865 10 40 KJCB O=C1C[C@@H](c2ccc(-c3ccccc3C(=O)O)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108450360 DQZSTLRLDDTQOH-HNNXBMFYSA-N 542.452 4.682 10 40 KJCB biogenic CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C(=O)NC2=S)c1 408739556 CPLQEPNXDRBLAV-OEAKJJBVSA-N 547.589 4.803 10 40 KJCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OC 409230271 CWDIUQJSBATLEF-KNGSKEOJSA-N 503.418 4.775 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1OC 27520676 UWBUNOWPUKPFGZ-DHDCSXOGSA-N 506.296 4.514 10 40 KJCB CCC1=NN2C(=N)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 100267122 SNSLFQXCFGDDTG-FWDDTQSRSA-N 563.455 4.563 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 100517592 KWYITRHGYBEVOM-FSSWDIPSSA-N 506.341 4.684 10 40 KJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c1 215197182 YNCRKKQVMAYFIK-IFRROFPPSA-N 527.894 4.962 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O 225483266 PIQGCEHKDKXAIQ-IZLXSDGUSA-N 591.715 4.775 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 408757800 CFCIUYVYUVOUEX-ODRZPYGQSA-N 567.711 4.790 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc2c1OCO2 408954017 QWUSFKKUCAQXTA-LSFURLLWSA-N 500.551 4.558 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)C1=O 409224239 KJVMQKVAYUFIHV-MOSHPQCFSA-N 524.360 4.986 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 409373395 RHIDQQLGDRQJAD-GIJQJNRQSA-N 545.773 4.945 10 40 KJCB CC(C)OC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)SC1=S 6190568 HFNPJEFBAWDMPQ-FMQUCBEESA-N 574.812 4.943 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1 41082512 UHPQYCVVKOSWCD-LEHBZZPOSA-N 512.360 4.756 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408784927 WULPSZHBLJYSGF-SRZZPIQSSA-N 626.403 4.860 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OC(C)C 408804870 BWEAUEJAQWOOMJ-LICLKQGHSA-N 548.377 4.760 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)cc1 408852653 HMSPEQCUNUQAJB-VXLYETTFSA-N 535.350 4.732 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408875354 DSZVMVPNDWUYOF-QQXSKIMKSA-N 512.562 4.898 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)c1 408965162 GQTAPZWZZJREJN-LFVJCYFKSA-N 501.608 4.665 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1cccs1 408982929 KBXYCNFDLLTFED-JGTYQCAFSA-N 538.094 4.921 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 408984099 LWMGLIGVTPOVSG-HRIDGTDGSA-N 555.700 4.831 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 409040634 HGJKEOVCWGMCFH-WQRHYEAKSA-N 511.317 4.937 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cccc(OC)c1 409059861 OVWUQXGMTBXTNH-ZJOBTTRRSA-N 579.722 4.853 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409265023 MGBJQUUHXDEKKA-NDENLUEZSA-N 625.419 4.601 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 409269898 AUJZEBGZKKSIQN-MTJSOVHGSA-N 639.446 4.909 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)C1=O 409387934 YSPXETDSMHMNQZ-XSFVSMFZSA-N 517.607 4.961 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 1008230 AYHVSSZPZHBECD-UCQKPKSFSA-N 503.580 4.864 10 40 KJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Br)cc1 8819614 AENYHXJRJVUILK-WQRHYEAKSA-N 505.415 4.798 10 40 KJCB COc1ccc(C)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 10113133 RJNFVJALJPQHRO-UHFFFAOYSA-N 521.683 4.814 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19826509 PQWVDCNUDQVIGE-NDEPHWFRSA-N 527.673 4.557 10 40 KJCB COc1ccc(N2CCN([C@H](c3cccc(OC)c3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852488 IDLOAVSAPRQCHT-HSZRJFAPSA-N 517.611 4.685 10 40 KJCB O=[N+]([O-])c1ccc(N2CCN(c3ccc([C@H]4OCCCN4Cc4ccccc4)cc3[N+](=O)[O-])CC2)cc1 59489928 AZJGOKXDJPLFAG-HHHXNRCGSA-N 503.559 4.751 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C)cc1 100269627 JSCBYTKGQVMUNL-BOPFTXTBSA-N 527.405 4.555 10 40 KJCB O=C1/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 101043539 FFRWXEDQRDWBJQ-ODLJZMMESA-N 549.077 4.895 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1OC 101087896 QRUCLIUWTKNBQO-HBPCKDBWSA-N 534.619 4.891 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl 223184149 QIQZEKCLKNLPAP-UIOOFZCWSA-N 510.107 4.837 10 40 KJCB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408536334 QYDAKBLLWBKDHL-MOSHPQCFSA-N 647.219 4.948 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409053938 DVFSSARIZCROKD-CIAFOILYSA-N 578.419 4.758 10 40 KJCB 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 105499281 WKYHUBDREWENAI-BIWBSIMWSA-N 588.711 4.836 10 40 KJCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 150414238 LMLMNWZJYSJRDL-FQHZWJPGSA-N 664.900 4.857 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C(=O)NC2=S)cc1 408777614 DFKXBIVTFGJEKM-FYJGNVAPSA-N 628.444 4.798 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408886659 HYOPHCHJIBHRPT-WOJGMQOQSA-N 561.399 4.745 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 408986865 PRWRNPWNMOSFFG-KAEGSSFASA-N 585.726 4.840 10 40 KJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c1 409276029 XKYUJTAJPGEDOC-KEBDBYFISA-N 511.895 4.916 10 40 KJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 1006022 AFSFAAKMWBUPTC-WYMPLXKRSA-N 519.579 4.897 10 40 KJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)cc1Cl 2258572 MYVDIGQYTZYMSC-DEDYPNTBSA-N 550.083 4.680 10 40 KJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O 8440833 BKXWSZGENRXRIR-ODLFYWEKSA-N 610.193 4.902 10 40 KJCB CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)s1 8819486 MLGSAOSYOFHMQA-LGMDPLHJSA-N 506.675 4.518 10 40 KJCB CCN(CC)c1ccc([C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 10078638 OIFVNMSXZNMERM-SANMLTNESA-N 522.627 4.595 10 40 KJCB CC(C)C[C@@]1(C(=O)O)N[C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]21 98005081 PQHOEFVMQZJKPK-DWKCODDLSA-N 603.240 4.623 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377538 MKTJZDUJMIDNOF-LFVJCYFKSA-N 540.085 4.984 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 102441920 WISRQIKCUOEEGN-OCEWKHMESA-N 548.064 4.778 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)C2=O)c1 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COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 41078490 MEKFNBRGJIYHPO-IKFXFJJLSA-N 512.360 4.674 10 40 KJCB COc1ccc(OCCOc2c(Br)cc(/C=C3\C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 97959259 OTDZRGLCILFJPM-ZMXGXFJXSA-N 545.415 4.563 10 40 KJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223191158 FDBPEJIKYJSIQL-SVBPBHIXSA-N 540.133 4.846 10 40 KJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)c1 408534048 KYCDHLSDBBKKQT-ZHZULCJRSA-N 505.324 4.643 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 408785411 XEDFFNBESLAKLC-QGMBQPNBSA-N 632.794 4.927 10 40 KJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 20289212 RNNARXSBXYCHMB-XYGWBWBKSA-N 519.529 4.775 10 40 KJCB COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(I)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 97967192 ONVNCACJWULYTB-UCQKPKSFSA-N 611.392 4.708 10 40 KJCB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1 100210605 JMZRXNILSJMIPE-CPNJWEJPSA-N 525.380 4.717 10 40 KJCB O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S)c1ccccc1 100319570 UJKIBRBYSFRYSA-UDWIEESQSA-N 522.520 4.842 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(NCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 100737359 IZZBYXJDQICSMY-ULJHMMPZSA-N 558.685 4.768 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OC(C)C)c(OCC)c3)C2=O)cc1 408809873 SKOMUABLHWYRAE-WOJGMQOQSA-N 564.376 4.542 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 408831758 PGBNRLFVABCRSD-ZGOFBEGVSA-N 587.723 4.626 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)sc(C)c1C 408849750 YMBPYYMYHNHZBS-KGENOOAVSA-N 505.596 4.958 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1OC 409146923 UIITZLSQKULSMQ-HYARGMPZSA-N 720.538 4.917 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(Cl)ccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 409190904 BCHZXUUGKVISSW-QPJBPQEWSA-N 606.100 4.564 10 40 KJCB CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4OC)C3=O)c2C)cc1 409232694 OVXFUTFMUKVGIZ-KOEQRZSOSA-N 500.599 4.977 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 409250455 MCOKFPZMCBLWIS-MTJSOVHGSA-N 636.455 4.545 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F 409400820 UNHAPCZUIVONNX-YBEGLDIGSA-N 589.215 4.830 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 41084187 KTKNXSVNZXNDMK-WUZKIMCNSA-N 505.947 4.718 10 40 KJCB CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4cccc5ccccc45)N=C3C)cc2)s1 98087319 UGVTUOHVWXALPO-RCCKNPSSSA-N 518.624 4.773 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4Br)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100416799 NQRWURDKCRNNDO-XPWALMASSA-N 530.374 4.761 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 100711446 NRHYJHQXUZLHSD-RTBQDRGYSA-N 524.908 4.988 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccccc1 408810848 QDAQFFWPECHTMR-FYJGNVAPSA-N 598.393 4.944 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1cccc(F)c1 408881462 LFWJCFCPNQDEBS-RGVLZGJSSA-N 586.357 4.993 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1O[C@H](C)CC 408901577 YYHMUVVEOCIMNE-CLXYIWAZSA-N 501.377 5.000 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c2=O)=N1 409036011 VBGIOKKGKPSYPP-CSJROMOCSA-N 511.647 4.514 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1 409259956 IIDZTHVBAZTIFZ-NDENLUEZSA-N 548.939 4.549 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409266925 LSLMLNVUBHFJDI-UWOKGBPVSA-N 537.034 4.885 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409383553 WUDACMULUVMCGL-YBEGLDIGSA-N 558.349 4.825 10 40 KJCB COc1ccc(N2CCN(C(=S)c3ccc(OCC(=O)Nc4c(C)cccc4C)c(OC)c3)CC2)cc1 9187986 HIAMVXVFYLKXEX-UHFFFAOYSA-N 519.667 4.836 10 40 KJCB Cc1ccccc1N1C(=O)/C(=C/c2cc(I)cc(I)c2O)C(O)=NC1=S 97960911 JGISMIYEJHSJJH-KPKJPENVSA-N 590.180 4.581 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 100266620 RFCKVXUROSOMIG-UWLIRHCWSA-N 553.021 4.784 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 100517599 WRKVOYLBJLJCQZ-FKBYEOEOSA-N 550.792 4.793 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 100766661 SWBOOCXVDUTPMY-GVAUOCQISA-N 519.985 4.634 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12 102770967 GNQMLTCUIRIDDN-CSEHATQYSA-N 510.623 4.879 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 103849924 ZGAQKEJWSDPRML-VXLYETTFSA-N 590.320 4.823 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 112245219 NREBIRMFSBZGKS-YBFXNURJSA-N 521.913 4.811 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc12 223137465 YBOHEXNJIYLRHY-VMPREFPWSA-N 511.695 4.947 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F 223139255 ITWMGWSOAQDEKI-DQEYMECFSA-N 529.632 4.813 10 40 KJCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408786223 HIGIKPQLANUOPO-RVDMUPIBSA-N 509.341 4.736 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1 408845333 MBUYLIQBBUMBBZ-YBFXNURJSA-N 525.330 4.842 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 409049896 YNMSDRRFQSYSRE-VCHYOVAHSA-N 665.272 4.862 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409258026 VSSGWWAMSPAWDX-MOSHPQCFSA-N 547.995 4.958 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 409263319 BPVUZDGGRFJYQZ-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB COC(=O)CN1[C@@H](c2cc(OC)cc([N+](=O)[O-])c2O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 8441395 FEGNLQIECXPTBM-VWNXMTODSA-N 528.359 4.760 10 40 KJCB CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18246829 LUDNBEDYZWKYCU-PFBJBMPXSA-N 508.534 4.865 10 40 KJCB N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 41076719 CWKLNAYVIJJLGZ-QGUUBAPPSA-N 506.385 4.938 10 40 KJCB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 95101150 WQKPPIKYJVIAHS-KQWNVCNZSA-N 526.940 4.717 10 40 KJCB O=C(O)CN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Br)cc3Cl)c3ccccc23)SC1=S 97965526 KBUWNTSZACKIEK-WSVATBPTSA-N 564.870 4.982 10 40 KJCB CC1CCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)CC1 223688529 XXSAZZWYNDIFKH-INIZCTEOSA-N 520.080 4.720 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1OC 225296423 OPYPGCWOGBLULA-FQLXRVMXSA-N 557.676 4.965 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C 408846357 IXACMATWSNRILV-TURZUDJPSA-N 578.694 4.865 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Br)cc1 408936649 HCPGRGJQELLMJG-UDWIEESQSA-N 552.337 4.611 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409068625 UMSCDZNWYNNDIF-XDHOZWIPSA-N 591.823 4.545 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409090441 NGTONYJSWUXSSI-GKTKDVHMSA-N 658.615 4.823 10 40 KJCB O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409206033 LUTLLFCOGOEKGJ-IDUWFGFVSA-N 522.446 4.806 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)c(OCC)c3)C2=O)cc1OC 409219761 PYTGBNKSGSGDAQ-LFVJCYFKSA-N 587.629 4.875 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409222805 CZKMJOLTRBLCQK-LPYMAVHISA-N 636.455 4.627 10 40 KJCB COc1cc([C@@H](Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)N(C)C)cc(OC)c1OC 604404965 MUTXIRIDCGEKTH-OAQYLSRUSA-N 544.604 4.559 10 40 KJCB biogenic COc1ccc(OC)c(N2CC(=O)N(c3ccc(Br)cc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)c1 15412997 SXPYDLRCDCBXDU-VWLOTQADSA-N 524.415 4.653 10 40 KJCB CCOc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c([N+](=O)[O-])c1 15978245 VHJRSJMYWBQRMR-UHFFFAOYSA-N 501.923 4.859 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4OC)c(OCC)c3)C(=O)N=C2S1 27533844 OGBUGJKYERCSKK-LTVAAQCESA-N 508.600 4.971 10 40 KJCB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100912803 PQUCHGUJQDISOQ-RJGXRXQPSA-N 546.373 4.543 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4ccc(Cl)c(Cl)c4)o3)C(C(=O)OC)=C2C)cc1 408872867 KJDMDYFGKREICA-HYARGMPZSA-N 626.449 4.895 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3ccc(Br)cc3)C2=O)o1 409402137 VLXNKPDGHCZLNO-MTJSOVHGSA-N 554.397 4.567 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 8440648 RCICFUVSXHILES-LXYLXTGBSA-N 576.074 4.588 10 40 KJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 9424689 CYXXFHXCPOUVEZ-PGMHBOJBSA-N 508.669 4.731 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 13940122 WZIVOCKTIQZBPY-ICALIKLASA-N 508.600 4.827 10 40 KJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 97945903 LMLMNWZJYSJRDL-GAHATOAQSA-N 664.900 4.857 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N1 100870369 XATACWSLWUMSHH-OGRZUZBBSA-N 529.065 4.593 10 40 KJCB O=c1/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 101596510 YSVGJTOFNXOOTP-LAUBZIAYSA-N 552.631 4.966 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC 225300801 PHPVMRDIKFSZIS-VSGBNLITSA-N 556.692 4.963 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408768487 GGHMDURTLUNMAR-RRAHZORUSA-N 540.616 4.700 10 40 KJCB 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Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C(=O)NC1=S 409382767 ORQLJTUAYIWRKQ-SFQUDFHCSA-N 523.973 4.636 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@H]3CCCC[C@@H]32)cc1 4291165 XZZVBGISYSYAEL-VTYIWZSASA-N 512.697 4.886 10 40 KJCB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 10113114 JZXXEVPRXYIFKA-UHFFFAOYSA-N 507.656 4.587 10 40 KJCB CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)cc1 13025094 JWLHWSQHXASUSQ-NDEPHWFRSA-N 515.610 4.766 10 40 KJCB CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 16185215 YTWRVQRWULYEIX-RSPUHVBCSA-N 523.571 4.871 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Cl)c1 223184389 VINOYXYDUYXFEW-UIOOFZCWSA-N 510.107 4.837 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3nc4cc(Cl)c(Cl)cc4s3)C2=O)c(C)cc1Br 408534472 VRHJSQTWBBMWFZ-JXMROGBWSA-N 540.226 5.561 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408768997 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Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 97947279 BFRJPNXJGOOBMI-QJOMJCCJSA-N 549.697 4.612 10 40 KJCB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)C(C)C)c1 102778485 HASYMRASWRGLAF-SANMLTNESA-N 558.578 4.893 10 40 KJCB CCOc1cccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)O 103609985 NZZDTPFEQNQFOZ-PXNMLYILSA-N 542.422 4.793 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O 225483230 PIQGCEHKDKXAIQ-NSOVKSMOSA-N 591.715 4.775 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409047808 UXRMKFWGMPYVLH-VZUCSPMQSA-N 518.822 4.792 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c(OC)c1 409095478 BHPSXGILYQHTGO-BOPFTXTBSA-N 513.369 4.558 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1C 409097344 MZRKEIDPHPMKQH-DEDYPNTBSA-N 522.026 4.982 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 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4.658 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(C)C)c(Br)c3)C2=O)cc1 409050066 ZVIMFRGOJQTCTD-LZYBPNLTSA-N 552.219 4.921 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccccc1 409055866 LJIHPHVYIFMHOO-STGXNMSHSA-N 549.696 4.844 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OCC 409222468 XGUCOWUYOUXWFG-OVCLIPMQSA-N 570.836 4.882 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C 409268568 VXUKNAUTIXNJBM-CVHFWEDTSA-N 512.653 4.710 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCc3cccc4ccccc34)C2=O)o1 409400804 RAOKFTFHLQZJMN-MYYYXRDXSA-N 525.561 4.957 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 33355372 AHYRATQCEWOGTP-QTTRZTASSA-N 606.542 4.977 10 40 KJCB CCn1c(=O)/c(=C2/Sc3ccc(Cl)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1ccccc1 97964016 IDJTXRPIIUDWHX-YJZCZVOBSA-N 560.104 4.514 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 103851918 UNXDFDSPAGNJHO-CXUHLZMHSA-N 602.381 4.569 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br 223184832 SVGRSDRRVYGCKK-IZZNHLLZSA-N 554.558 4.946 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(Br)c1O 408786062 KRHNWTKGSYRUNG-ONNFQVAWSA-N 519.657 4.502 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408804249 DTKHKSULWKMNAM-CIAFOILYSA-N 644.393 4.861 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1ccccc1F 408894080 ITOPEPBKAADWOI-UDWIEESQSA-N 644.393 4.861 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3C)C2=O)cc1C 409258705 ZGNGLNPIMDYDNF-HMAPJEAMSA-N 517.969 4.949 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 409258732 ZRSDSDQFMUVNNW-MOSHPQCFSA-N 520.010 4.806 10 40 KJCB COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)c1 409268712 XZXDAJRTJGTRMD-MSXFZWOLSA-N 534.615 4.843 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1O 409349608 VOFOKCQRYLLFIN-DHDCSXOGSA-N 528.349 4.710 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409362540 HTMCYKKWGFOKGC-NDENLUEZSA-N 629.382 4.513 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)cc1 409375475 LJMRYIVKKSYNTI-PCLIKHOPSA-N 529.618 4.551 10 40 KJCB COc1ccc(Cl)cc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100580071 KPCHRNUDLYNHTL-FKBYEOEOSA-N 522.340 4.697 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1F 103841706 MTZSRSDDMKRGFY-CAOOACKPSA-N 569.339 4.571 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314150 KMVLBIXARHLRLT-PNTFMKQHSA-N 507.616 4.557 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C 225518721 TWLPZWUYBFRITR-VSGBNLITSA-N 539.661 4.887 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1cccc(F)c1 408529054 GTNIRDBRDXAGRC-NVNXTCNLSA-N 501.342 4.507 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 408777558 BZWXHRONOOCBGE-NTUHNPAUSA-N 528.584 4.930 10 40 KJCB O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Br 408847136 PKVOHNTVEAWBME-RUDMXATFSA-N 609.079 4.813 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC)c(OC)c3)C2=O)cc1 408900430 SLJBGMHSRLYPFE-PDGQHHTCSA-N 564.376 4.544 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C 408984393 QKFABKQHECRTRQ-GRSHGNNSSA-N 508.918 4.639 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 409047000 LWLFPHNGYVDPJN-AWNIVKPZSA-N 528.584 4.848 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409067079 JCTMANOAEPNTEB-PUUMDJTNSA-N 534.685 4.783 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409269088 DWSZQYCRWGKXAS-SRZZPIQSSA-N 596.409 4.898 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1ccc(C(=O)O)o1 409385407 LBDPEKPYDIIMKH-NTEUORMPSA-N 531.304 4.539 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1 409399781 MGDSOMBCMAKCFF-UYRXBGFRSA-N 570.827 4.980 10 40 KJCB COCCN(Cc1c(O)ccc2cc(-c3ccc(OC)cc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524730433 IYVMPFMFBOARDP-WNCULLNHSA-N 506.643 4.887 10 40 KJCB biogenic COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)cc1 4048209 ABCNVAFXNZDQOU-BKUYFWCQSA-N 571.440 4.847 10 40 KJCB COc1ccc(N2CCN(c3ccc(C(=O)c4sc(N5CCCCC5)nc4C)cc3[N+](=O)[O-])CC2)cc1 12551365 OWUMRZIKZGUPJO-UHFFFAOYSA-N 521.643 4.916 10 40 KJCB COc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1 58993185 BPSDPCCITMZTKZ-GCJURLSISA-N 522.590 4.791 10 40 KJCB CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)C(=O)N(C)C1=S 103856161 XVYNXQPXOKHCPU-UHFFFAOYSA-N 542.224 4.528 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 408991840 YYTFLHTVMFSODH-GKTKDVHMSA-N 587.723 4.656 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 409044393 BUFICXSINGJWDF-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)cc1 409048341 SOCRNZVQZOGDIV-VCHYOVAHSA-N 576.370 4.644 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1 409196912 RZDQZNINOYXQDS-MYYYXRDXSA-N 501.608 4.724 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1C 409235945 DJRNAUXVDUODKO-HYARGMPZSA-N 501.608 4.637 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Cl)c3)C2=O)cc1 409257821 QKSMHIJEYSRKRF-FYJGNVAPSA-N 533.968 4.649 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC(=O)OC 409342245 CXHOZVPFOMKLAQ-LICLKQGHSA-N 526.405 4.945 10 40 KJCB COc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)c2)cc1 409385070 HDKNSRBFGJOTJI-CEUNXORHSA-N 577.593 4.958 10 40 KJCB Nc1ccc(C(=O)N/C(=C\C=C\c2ccco2)c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 5545780 NXYPOZHHRVRHCP-SRZODOGPSA-N 500.514 4.998 10 40 KJCB CCOc1ccccc1N1C(=O)[C@@H]([C@H]2SC(=S)N(c3ccccc3OCC)C2=O)SC1=S 8828431 QSKDRITYGBDFDS-QZTJIDSGSA-N 504.680 4.651 10 40 KJCB COCCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 97947034 CWGNYXTTZQWBBH-RXBGNRNISA-N 535.858 4.632 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 163766153 STQLCKZVYNMEBB-ORVZPOCUSA-N 667.525 4.539 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C 215028577 POXCVPUMQYPNOK-PCLIKHOPSA-N 512.610 4.581 10 40 KJCB Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223146566 ITVDJCOJTDYNBB-CLJLJLNGSA-N 510.107 4.756 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225542966 VEXLHOAYTFBCBK-FGZHOGPDSA-N 513.704 4.526 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408889157 FGHRTDPRVZEFQC-UDWIEESQSA-N 599.459 4.817 10 40 KJCB CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408894175 BLUURFSNCNHKCJ-GFQQVXNGSA-N 507.768 4.955 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 408943980 SYHBGPRMBMLCHR-VXLYETTFSA-N 569.339 4.540 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1cccc(OC)c1 408984103 LWMGLIGVTPOVSG-NULZLWRNSA-N 555.700 4.831 10 40 KJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 409370513 RYZUGPFXGKOBJX-MFOYZWKCSA-N 526.423 4.873 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(I)c(OCc2cccc(C(=O)O)c2)c(I)c1 409399830 NIJSXQSPCQYLNK-ZDLGFXPLSA-N 666.209 4.634 10 40 KJCB CCc1ccccc1N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 8431950 VBFSYKULYAAZOX-VJBWXMMDSA-N 530.374 4.707 10 40 KJCB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1 102949306 RDCUOKHJQSJBMH-UPCLLVRISA-N 585.542 4.786 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408743770 YBFKFFLQLDUOLO-YBEGLDIGSA-N 531.771 4.892 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408899990 QWMZDMFHXZRQFH-MOHJPFBDSA-N 534.590 4.608 10 40 KJCB COc1cc(I)cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OC 409046901 LJGRKSPFSIYZHZ-YHYXMXQVSA-N 538.210 4.810 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(=O)N1CCCC1 409257131 QWIRKIDYKJSOOA-KQWNVCNZSA-N 511.669 4.558 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409257222 RMOMHCVWJRGSSN-MOSHPQCFSA-N 627.460 4.539 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 409258241 XGHDBLZDDZQHJV-KGENOOAVSA-N 548.393 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(C)cc1 409371163 BIHPQINZSVLDEG-RGVLZGJSSA-N 539.382 4.990 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC 409383180 UYVNBSLCUGQSBA-UYRXBGFRSA-N 566.035 4.596 10 40 KJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C1=O 8870211 XFHAFZQTNWXYSL-YBOITYIFSA-N 519.648 4.518 10 40 KJCB COc1ccc(N2CCN([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940944 QLEJOFXDHJBZSX-MUUNZHRXSA-N 527.673 4.557 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 408890624 WRBGBNJKUCGEHV-DEDYPNTBSA-N 525.330 4.842 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 408916442 CGZNIAGHQBNTEF-NDENLUEZSA-N 555.381 4.697 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1OCC 408932646 DEBRIXBIEVWSIQ-SWFNHZAASA-N 585.726 4.840 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1 408990454 WAAZXUYZLVIQOD-GVMLUORFSA-N 532.065 4.859 10 40 KJCB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409054112 MSNZAWMODTZCDF-ASSGYOTOSA-N 536.097 4.831 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409268213 ZTIIFRUXBYZGNN-NHDPSOOVSA-N 684.443 4.899 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC 409328545 XIROANDJOUAPFR-NVNXTCNLSA-N 528.349 4.622 10 40 KJCB Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409346803 LJWTZEGDRDAOTI-UDWIEESQSA-N 512.012 4.992 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OCC 409378270 OHXCTORYAGVHPJ-HAVVHWLPSA-N 617.655 4.965 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 663024 VDTDCNPFABPXQH-PCCBWWKXSA-N 554.755 4.937 10 40 KJCB NC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)sc2c1CCCC2 8820525 YNVUVJPIILBEIM-JXLMVQBASA-N 511.694 4.902 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1 18180621 OFJOQMMYCMPPEC-FKBYEOEOSA-N 506.341 4.997 10 40 KJCB CC(C)Cc1nn2c(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c(-c3ccccc3)nc2s1 41074352 QTKXDLIRJFNQIX-ACKDDNJSSA-N 512.624 4.719 10 40 KJCB COC(=O)C[C@@H](c1ccc(OC)c2ccccc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971940 OECTXSIYELPMRZ-SFHVURJKSA-N 544.512 4.845 10 40 KJCB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 105498115 IVVNPEKXEBUEBB-UOGWCTRJSA-N 584.654 4.937 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409078792 JKMRVZXFTQPJDL-LICLKQGHSA-N 508.830 4.615 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1 409123569 CUYDPNNSKDVPMD-OEAKJJBVSA-N 526.593 4.867 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)C2=O)cc1OC 409251728 QJPPRAPPMQTZEG-JLPGSUDCSA-N 557.603 4.785 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)c(C)c1 409376886 DTWMILUDEHOEFE-LDADJPATSA-N 538.000 4.945 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 409398472 BCBMLDJXKHUZAA-ZDLGFXPLSA-N 527.758 4.841 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C 3365193 PAFADQKFBATWJK-UHFFFAOYSA-N 524.639 4.707 10 40 KJCB O=C(NN1C(=O)c2cc(I)ccc2N[C@@H]1c1cc(Br)cc(Br)c1O)c1ccncc1 8432095 HRSRIMBCPMZMGR-SFHVURJKSA-N 644.061 4.828 10 40 KJCB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 40221177 BDOTVZCXDHQERE-QNGOZBTKSA-N 501.589 4.897 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408771036 DQTQDACBOBBVKZ-VXLYETTFSA-N 565.376 4.740 10 40 KJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 408775428 SSEBHDRFIBAMPE-RJDQKLELSA-N 514.553 4.959 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408811009 JWRYBSHARNERAH-SRZZPIQSSA-N 507.886 4.502 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408872638 HXNXRSLUVLEHKC-ODLFYWEKSA-N 523.954 4.667 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408917082 MFQSBNJWAJPXSE-GRSHGNNSSA-N 632.407 4.547 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 408947278 BSIWNOZDLWWSGC-OEAKJJBVSA-N 536.496 4.512 10 40 KJCB CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1 408971849 QZOJEOXUGWELKY-UHFFFAOYSA-N 533.046 4.680 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 409221180 MBVPRRARHZSVOR-PXLXIMEGSA-N 510.506 4.663 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)ccc1C 409246983 AIOHAAUEIYSSEP-JAIQZWGSSA-N 623.416 4.667 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2)cc1C 409385723 IGKIOHFSDFDTDQ-YDZHTSKRSA-N 548.393 4.750 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCc5cccc(C(=O)O)c5)cc4)c3C)C2=O)o1 409398008 AXBAZKGRXJRYNF-YSMPRRRNSA-N 569.570 4.844 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 9346308 MSQAKMZCRMHUDC-YLCCHKQJSA-N 508.669 4.540 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 32109474 ZSGGWSXFCMSIET-SOXLPYPMSA-N 518.517 4.951 10 40 KJCB Cc1cc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)ccc1Cl 39389314 ITMQNAXFFARYPH-HYARGMPZSA-N 503.942 4.937 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 100741178 RYUYFHOCUDDHFI-ACRUOGEOSA-N 554.755 4.937 10 40 KJCB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1cc(Nc2nc(Cl)nc(Cl)n2)ccc1S(=O)(=O)O 150383982 QPCPIIGOLKCZPP-FSJRDOOXSA-N 670.300 4.597 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1cccc(F)c1 408530511 MAPXVPQETOECNT-SXGWCWSVSA-N 515.369 4.897 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408695808 ZTNKGCQXUTYGIZ-YBFXNURJSA-N 558.385 4.739 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4C)C3=O)c2C)cc1 408758229 WZWZRCISDZABJJ-UDWIEESQSA-N 507.388 4.843 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C2=O)ccc1Br 408761977 ILGUJHOEOLLKHR-RGVLZGJSSA-N 536.382 4.838 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 408902275 GSOOUKRYYUFODM-VXLYETTFSA-N 694.251 4.885 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409379027 UILNQEJGSVXANL-XDHOZWIPSA-N 551.958 4.870 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCN3C(=O)/C(=C/c4ccc(OC)cc4)SC3=S)C2=O)cc1 1744774 AXXXGXKVKCYFHK-AXPXABNXSA-N 528.702 4.806 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2355122 YOXKDLULWONOOF-MHWRWJLKSA-N 516.691 4.937 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl 105511745 ARXHOXGPXLNMSD-SJJVXOANSA-N 532.065 4.859 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 408776289 NCIZFWDHRPKVIF-YBFXNURJSA-N 602.768 4.888 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 408800528 NQMKBBYKQQQJBK-OQLLNIDSSA-N 585.192 4.518 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 408886174 IQNGTYNDRQNGPD-KGENOOAVSA-N 524.982 4.699 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)cc(Br)c2O)C1=O 409053256 BMMYERMYILKNJO-IZZDOVSWSA-N 514.557 4.545 10 40 KJCB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c1 409057299 KKBIDJJCIJHYHQ-RMNLPTLGSA-N 564.711 4.873 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409132709 LLBDDCCVVMEDMX-NAZSJVEXSA-N 533.719 4.943 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409245257 PVIBQUKVKADDSN-SXGWCWSVSA-N 574.849 4.850 10 40 KJCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)c(C)n1-c1ccc(OC(F)F)cc1 3375947 CQMTZCDBYCYRNB-OALUTQOASA-N 576.618 4.533 10 40 KJCB COc1ccc(OC)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025121 VCDPXQGWWFFPBZ-MUUNZHRXSA-N 533.625 4.580 10 40 KJCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 80324559 SMKBOLMZQKFVCM-DFIYOIEZSA-N 521.551 4.929 10 40 KJCB CS(=O)(=O)c1ccc2c(c1)N(Cc1c(O)c(C(=O)NCc3ccccc3)cc3ccccc13)CCC2 95464599 ZDNFQBGAEDAODL-UHFFFAOYSA-N 500.620 4.832 10 40 KJCB CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100912799 PQUCHGUJQDISOQ-VABKMULXSA-N 546.373 4.543 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)c(Br)c1O 100949661 JAAKLSDECJOXAX-IZZDOVSWSA-N 589.034 4.663 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 103851890 APRAWOMDCXTKOE-GZTJUZNOSA-N 576.362 4.980 10 40 KJCB Cc1cc(NC(=O)CSCC(=O)N(c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)[C@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 150417318 XOTGSKVSHZWFOA-NBLPZQPVSA-N 713.879 4.852 10 40 KJCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C2=O)c1 408534100 LHGZVJXWZSQZFW-XBQPDYEUSA-N 502.910 4.634 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 408542705 NMCIDDVBGMASRW-OEAKJJBVSA-N 530.005 4.961 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc(I)c1O 408778375 SJCQWSDLUPXHLE-VZUCSPMQSA-N 580.684 4.734 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408799614 HDRRPUYFJSMTDX-RGVLZGJSSA-N 629.363 4.549 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(Cl)cc1 408815519 WYWXXROQWPQVAG-RGVLZGJSSA-N 507.886 4.502 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409049807 XOPMTGPDWADRQV-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409254711 FLXITISIGFXEIL-WOJGMQOQSA-N 554.386 4.994 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409374221 YYKOWRJVXXXMGY-VCHYOVAHSA-N 515.747 4.937 10 40 KJCB O=[N+]([O-])c1ccc(N2CCN(c3ccc([C@@H]4OCCCN4Cc4ccccc4)cc3[N+](=O)[O-])CC2)cc1 59489929 AZJGOKXDJPLFAG-MHZLTWQESA-N 503.559 4.751 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@H](c1cccc(F)c1)OC21C(=O)c2ccccc2C1=O 100415454 PGSHGPYRJVJDQT-NJYVYQBISA-N 509.411 4.540 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1Cl 408888715 ZOIOIDIIFAEYGP-YBFXNURJSA-N 507.886 4.502 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1Cl 409045391 GNSCBRMMVIOLBW-UDWIEESQSA-N 524.360 4.986 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 409099047 PSHNTAGSRHRQBL-PQRKSKNISA-N 572.706 4.659 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(F)cc3)C2=O)cc1OC 409365714 WJLICICTVDRNIS-HMAPJEAMSA-N 581.984 4.960 10 40 KJCB CN(C)c1ccc(/C=C2\N=C(SCn3nnc4ccccc4c3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 3324763 JFRISURKSLSRQD-HAHDFKILSA-N 548.575 4.594 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 13806909 MNBVNDSWZISDPB-JHRFGPFWSA-N 520.680 4.682 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1 13881019 KGIVXVZADQDNHN-OEAKJJBVSA-N 503.580 4.864 10 40 KJCB CCCN1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 26779655 LDEHRXMFPDKDDL-FOWTUZBSSA-N 502.415 4.861 10 40 KJCB O=C(O)CCCCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 97957601 JGGGEDYIGAKAIF-NBVRZTHBSA-N 530.027 4.986 10 40 KJCB COc1ccc(C2=NN(c3nc4ccccc4[nH]3)C(=O)/C2=C/Nc2cc(OC)c(Cl)cc2OC)cc1 100430182 BVTXPKRQTQVTEL-SAPNQHFASA-N 503.946 4.989 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)O 225506304 KLGIPHKWUBWJDA-RRPNLBNLSA-N 525.634 4.799 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408814694 VZKGZSQKUDLIQE-HYARGMPZSA-N 515.522 4.856 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(CC(=O)NCc3ccco3)c12 409135415 QMHLXKVMVHYFKL-FMCGGJTJSA-N 516.648 4.910 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OCC 409141134 GZQQLTJWKQVHKY-MHWRWJLKSA-N 550.418 4.537 10 40 KJCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1Cl 409188330 GQGZUQMGRJQANK-CPNJWEJPSA-N 500.979 4.978 10 40 KJCB CCCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409342541 GTXCZQIUFXTIIB-CXUHLZMHSA-N 507.768 4.956 10 40 KJCB [N-]=[N+]=NCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)C(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 616568092 FBQKQKSBWTUJSU-UHFFFAOYSA-N 855.920 4.566 10 40 KJCB O=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccc(/N=N\c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1 104370059 NWOUADTWSVMHTR-QPLCGJKRSA-N 527.536 4.707 10 40 KJCB COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C 223689409 STYAMUICTSOHEI-DHIUTWEWSA-N 513.461 4.787 10 40 KJCB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1 408770941 BEIOPJKYWBBLDL-DXSHVULOSA-N 524.617 4.858 10 40 KJCB 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537.685 4.782 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 408819029 ZOTXQFCNAGPFTC-VXLYETTFSA-N 541.329 4.548 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 409061550 FKDYVXBJRFDPAE-CYGYJLBOSA-N 579.722 4.853 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409073758 IHSWAWPACCDDJK-KEBDBYFISA-N 657.373 4.542 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 409224238 KJUYAUGLCUPUJN-VXLYETTFSA-N 555.330 4.586 10 40 KJCB Cc1cc(C(=O)[C@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3444005 YIBNPWZXMICXLM-SFHVURJKSA-N 524.520 4.886 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 103855768 QEGPSJRIWXGFJT-UHFFFAOYSA-N 544.254 4.942 10 40 KJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1C 223188319 OVGROXLZIQAZDW-WUFINQPMSA-N 503.716 4.801 10 40 KJCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 223567772 FKRBFOAUSOSVQI-UHFFFAOYSA-N 512.503 4.698 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3C)c2=O)=N1 409058647 UNOZEMBWUUCUFY-HDFSHUSISA-N 575.731 4.504 10 40 KJCB O=C(O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br 409066260 BFKRGMDNZUANDV-VXLYETTFSA-N 630.245 4.920 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409069729 VWIRXCMWBLUQGR-ODLFYWEKSA-N 511.317 4.937 10 40 KJCB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 409197316 BFQHWYAVMBSEMW-FMCGGJTJSA-N 532.599 4.925 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 163721156 YFYKKMAHXBMFMV-LJJBLSSYSA-N 649.405 4.788 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 408765807 BLXMJLOZIRKYJZ-ZIRCPPMYSA-N 552.700 4.729 10 40 KJCB 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CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408530708 FRERCFMUVROWSB-BNZRDPNESA-N 541.516 4.587 10 40 KJCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 408813635 UVEFROXVNWEKCE-OQLLNIDSSA-N 508.166 4.665 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(Br)cc1 408855120 CGFXGIKVLKPUEC-LDADJPATSA-N 515.161 4.669 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 408895272 DLJHSOJEWCUDME-VXLYETTFSA-N 632.794 4.897 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408900874 YJFMGPLZJHRIQV-YBFXNURJSA-N 697.301 4.805 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)c1 408966509 LZIMJWIHQBFBAL-LPYMAVHISA-N 507.999 4.756 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc(C(=O)O)cc2)S1 409085853 SSOHWQSQGRQLRJ-FRKPEAEDSA-N 554.216 4.595 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C 409103045 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COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 100165170 SCMSHMSVBJIHIM-NDENLUEZSA-N 560.775 4.994 10 40 KJCB CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1cccc(OC)c1 100230524 QPQVILFPZVMFEA-HYARGMPZSA-N 553.409 4.776 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(I)cc1 100414977 IEBQUBUMHBYULD-ACRUOGEOSA-N 583.765 4.640 10 40 KJCB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)sc(C)c1C 103113809 YSSBHZYPVOSAAV-UHFFFAOYSA-N 525.966 4.766 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 103858395 ZJWKHNDJAJPGSF-FYJGNVAPSA-N 522.311 4.603 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730917 VVCAPCXVFNLFSB-ASZNLBCTSA-N 586.670 4.813 10 40 KJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C 408758119 VOUHPLNWJLKBRH-UDWIEESQSA-N 542.337 4.720 10 40 KJCB O=C(O)c1cc(C(=O)O)cc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)c1 409007639 PZKOHXYZRBRKNR-UHFFFAOYSA-N 522.469 4.926 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3Br)c2C)C1=O 409236231 FDZDSUZSFOMKKO-NBVRZTHBSA-N 508.372 4.922 10 40 KJCB O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 409334288 WPFQXBIQNDGBAT-IUXPMGMMSA-N 524.449 4.740 10 40 KJCB O=C(NN1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S)c1ccc(Cl)cc1 409350836 SJNOLUXUGDGZCV-NTUHNPAUSA-N 642.665 4.801 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 409372411 KRUZZBXLXXMUAL-VCHYOVAHSA-N 607.198 4.888 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1Oc1ccc([N+](=O)[O-])cn1 409401782 ZXTWHRCEOBVLSI-DHDCSXOGSA-N 590.184 4.777 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1cccc(C)c1 409408137 PNKXZQYXSGWDJU-NDENLUEZSA-N 540.357 4.649 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12 8834835 CWDAJIMSBCKRAL-SWEXZPIWSA-N 508.694 4.519 10 40 KJCB COc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(Cl)c(C)c1 33705566 KBALPLIRWLOKDC-DEDYPNTBSA-N 510.930 4.574 10 40 KJCB COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 408572075 FDQJNWXPMPPEOP-IWIPYMOSSA-N 504.633 4.792 10 40 KJCB COCCN1C(=O)/C(=C/c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C 409015354 RPXXEKXNVZKKTJ-YZSQISJMSA-N 585.078 4.643 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 409058130 RODJGKNGENTTRE-CPNJWEJPSA-N 524.360 4.986 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1 409071545 HBIDHJKEBCUVCL-XDHOZWIPSA-N 561.399 4.826 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409075861 YPSVIYLLUWTKCO-YBFXNURJSA-N 577.398 4.532 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccc([N+](=O)[O-])cc2)S1 409084676 QABFHRNXXGBIBR-FRKPEAEDSA-N 555.204 4.805 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409125441 FLEOGHAFQGEKHM-AFUMVMLFSA-N 529.612 4.797 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC 409142695 BJYMECZZDAZVBI-ZDLGFXPLSA-N 555.461 4.799 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409218404 IQKGCOVSASRIMV-DJKKODMXSA-N 585.356 4.594 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC 409232442 HTVQRBDUPZJAGB-VGOFMYFVSA-N 529.334 4.707 10 40 KJCB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)c1 409261869 FPBZODGFIQJBPM-GRSHGNNSSA-N 540.359 4.691 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OCC 409377776 KQOSKJFSOCTZGF-OQKWZONESA-N 573.602 4.567 10 40 KJCB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100082084 YQMFSYSBHOIKHG-UHFFFAOYSA-N 567.708 4.605 10 40 KJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 101058771 AWPSCIWHXVHFHB-VJQDOBSPSA-N 528.659 4.802 10 40 KJCB COc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC 101170279 YSOJWBQAFNKMLH-CGEIFPEOSA-N 543.605 4.614 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 163561459 GNSJPBAYVMCPDT-LMSRTUJASA-N 641.506 4.950 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 163725843 UVPNDKWJWJBDKN-YNMQQHPQSA-N 666.585 4.876 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1 408694478 IHKHPGQCCCWJIB-XDHOZWIPSA-N 513.388 4.831 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408877065 PFZXOHGUEATNJJ-MYYYXRDXSA-N 516.525 4.729 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1 408878598 AWQJSEQJJGQTIS-MFKUBSTISA-N 500.551 4.956 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409268746 YOTGFBXUNRZDDO-NDENLUEZSA-N 641.487 4.765 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409351289 SZXUKLJKFKSORR-SSDVNMTOSA-N 566.573 4.935 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 8452984 SVVKIPVRAYXTFC-WPTKKBASSA-N 547.456 4.944 10 40 KJCB COc1cccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025035 HHUYCDPBYYWJRX-NDEPHWFRSA-N 517.626 4.567 10 40 KJCB CC(C)COc1cccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c1 96222752 GJEOLGIMMHGIHM-QGZVFWFLSA-N 504.491 4.758 10 40 KJCB biogenic O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(=O)c1ccco1 408535977 PIOXUMKPLKZUOM-LCYFTJDESA-N 578.144 4.829 10 40 KJCB CCc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S 408761964 IHEQNLBBORKVTM-KQWNVCNZSA-N 508.603 4.674 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C(=O)NC2=S)cc1 408783805 RIJVSLJSLSVVHM-FYJGNVAPSA-N 612.445 4.962 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408898374 LVCQINOQQAOAKP-FYJGNVAPSA-N 578.419 4.840 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 408978731 AYHMTRXBGRFSBX-XQNWCSQWSA-N 541.673 4.523 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccccc1OC 408981598 IIIOHACABLWLJF-FQKMCRJQSA-N 562.091 4.868 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccc(OC)c1 408998257 UFJCRZWUYSWVOW-FBRKSOCZSA-N 618.553 4.773 10 40 KJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1Br 409346842 ORERCBBBAVGGDG-YVLHZVERSA-N 539.249 4.953 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8407372 RHLMXAPEHTXANM-LAUBZIAYSA-N 601.700 4.591 10 40 KJCB COc1ccc(N2CCN(c3cc(N4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)ccc3[N+](=O)[O-])CC2)cc1 100311933 XVODXIHRIXHLHE-UHFFFAOYSA-N 587.702 4.594 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 169617003 FNXVYEXICLKDEB-NJDAHSKKSA-N 536.765 4.798 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)cc1 408809218 RBBFNZJRMCEDJY-FYJGNVAPSA-N 549.923 4.670 10 40 KJCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 409082205 RPZRZICWHTVIAO-RAWKODRKSA-N 582.726 4.737 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 100414638 OFJOQMMYCMPPEC-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 408536915 TZJOALPNGBSQIU-HFAHNTRXSA-N 576.359 4.951 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)c(C)c1 408756954 KQSUETQPENUKNO-NDENLUEZSA-N 507.388 4.843 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1Cc1ccccc1F 408870630 WFDQLQUEBNNYER-YVLHZVERSA-N 574.321 4.835 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Cl)C2=O)cc1 408882092 PNSPAIZEKGJGOH-XQNSMLJCSA-N 518.953 4.783 10 40 KJCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 408901696 AIHWBIMMMVIGPN-LPYMAVHISA-N 561.367 4.848 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1OCC 408938146 RVZAWMWQFQIAKP-HJRUQSCCSA-N 585.726 4.840 10 40 KJCB CNc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1I 408981777 BSPAUEMSFOSCFG-XGICHPGQSA-N 621.600 4.566 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409092568 XASLKLYEKWAKNX-CXUHLZMHSA-N 553.827 4.523 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409219041 IJGHHUMTMXFIMV-CIAFOILYSA-N 656.873 4.972 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409344233 IGMXPMBTGNKEMB-STZFKDTASA-N 558.615 4.786 10 40 KJCB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 13775107 BSAPMKAUEDCBOM-RGEXLXHISA-N 513.710 4.908 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1 101005876 YWBJORNWVSQQLD-AQTBWJFISA-N 566.442 4.698 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 101150593 XXYRHXQAEMOVJA-XFYDVPHZSA-N 517.954 4.630 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1OC 225308608 OEMRHMPBQXOPBR-VSGBNLITSA-N 527.650 4.951 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(OC)cc1 408536029 POJDUAULXUYXOR-KGENOOAVSA-N 520.925 4.633 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 408735416 PTAUOPHUMJIBCD-YTFSRNRJSA-N 564.377 4.865 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408761403 DYUQMCCRYKGLGV-UDWIEESQSA-N 566.364 4.920 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408882307 ONBUQKYYCDKLPG-KGENOOAVSA-N 524.982 4.699 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 408907073 LMYDTNUSZRUKLF-WGOQTCKBSA-N 541.604 4.844 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1 408936642 HBTYZNGHPYBBIJ-YBFXNURJSA-N 507.886 4.502 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)SC1=S 409225035 JKGRJUZZTOAWTD-WQRHYEAKSA-N 568.458 4.847 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4C)c3)C2=O)cc1Cl 409270009 NNSIDIGEPHPWDW-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)c(C)c1 409374438 PQISKFBVCVGHIS-SRZZPIQSSA-N 534.546 4.943 10 40 KJCB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 8383772 RFDIIJPACNPTOI-LPYMAVHISA-N 554.386 4.719 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2O)cc1OC 9089829 ZXFIDNSBIHTZAN-JCMHNJIXSA-N 507.974 4.674 10 40 KJCB N=C1/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 101082238 STLXHKWRMOGJPR-QZKYPLDBSA-N 540.649 4.742 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)c(Br)c3)C2=O)cc1 409266938 ZERXZKQFFQZBGL-FYJGNVAPSA-N 578.419 4.758 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)OC)c(Br)c3)SC2=S)cc1 409342865 CUUYAHQTPITOQX-WOJGMQOQSA-N 508.415 4.805 10 40 KJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 409400949 WHZBMZJBMQPQEO-PKAZHMFMSA-N 524.552 4.712 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 8819861 LWUMRKYNFDIIIW-MOSHPQCFSA-N 501.586 4.709 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 9304126 RGEPLJWWJDCHNF-WTPQPOPRSA-N 513.579 4.524 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 9891808 MJMNBLCVIQMEIL-YBFXNURJSA-N 511.317 4.937 10 40 KJCB O=C(NC1CCCC1)[C@@H](c1ccc(N2CCOCC2)cc1)N(CCc1ccccc1)C(=O)c1ccco1 13025014 QLJJBPDEKZTZQR-MUUNZHRXSA-N 501.627 4.601 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F 35419927 ISIOOENCMZRCAH-YBEGLDIGSA-N 500.313 4.611 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 97947298 ZSZBLWWOLSOCNR-QJOMJCCJSA-N 551.713 4.860 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1C 101087397 GLYQCYURFKIXBV-BZXCCTPPSA-N 527.606 4.914 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1C 103859021 QCUQLNHBFBKBHA-FYJGNVAPSA-N 536.382 4.618 10 40 KJCB Cn1ncc(/N=[N+](\O)c2cnn(C)c2C(=O)Nc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 225384440 YLJUDJVRPWRMKG-UHFFFAOYSA-O 514.353 4.782 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 408991802 YUXUNLFEBRAYQM-LCQSEVKBSA-N 664.578 4.764 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409207743 YWPLMWUWGXEDSP-FYJGNVAPSA-N 552.596 4.748 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccccc1Cl 409272269 PLNMHEBNNZUSAD-ATVHPVEESA-N 554.784 4.786 10 40 KJCB O=C(NN1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S)c1cccs1 409352090 WEYAEZJZNZJROV-VCHYOVAHSA-N 528.549 4.903 10 40 KJCB Cc1ccccc1NC(=O)COc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I 409399187 GGUQLJDQTYXQDG-WQRHYEAKSA-N 679.252 4.683 10 40 KJCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccccc4OS(=O)(=O)c4ccc(C)cc4)C(=O)N=C3S2)cc1 8916230 ONAXKDBZXOTTSB-JMSPFPEISA-N 516.604 4.739 10 40 KJCB CCOc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 13671940 YDZMWHPTQVYPKX-UHFFFAOYSA-N 525.646 4.726 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1cccc(C)c1 13895438 ZIBIIIBAVULKDT-ULJHMMPZSA-N 500.551 4.826 10 40 KJCB Cc1cc(N2C(=O)N=C(O)/C(=C/c3cc4c(cc3Br)OCO4)C2=O)ccc1Br 59860095 ONPMZDRDUDIDAO-XGICHPGQSA-N 508.122 4.755 10 40 KJCB Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 225400696 JEPPXCPRCZLFNK-FTJBHMTQSA-N 532.695 4.741 10 40 KJCB COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 408764751 YEIQZTSZWNDXJL-AWNIVKPZSA-N 631.071 4.501 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408844726 LCTAPEAZZBPTQO-QGMBQPNBSA-N 569.339 4.571 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1 409049158 VDTWUGKVSVPSGH-DEDYPNTBSA-N 554.784 4.786 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O 225481299 GBFIKAXQZDFKPZ-KAYWLYCHSA-N 563.705 4.752 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C 225494621 GENMSCLEGRTIII-WUFINQPMSA-N 605.742 4.833 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)C1=O 408531836 HFGJUGZGYPOYED-ATVHPVEESA-N 511.317 4.888 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(Cl)c(Cl)c4)c3)C2=O)cc1 408551000 IVPMKEZEDJAQQJ-UDWIEESQSA-N 540.359 4.686 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(CC)CC)cc4O)c(=O)n32)cc1 408858182 QJLFELPPYMYKMU-WWWKDLBZSA-N 582.726 4.824 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 408973138 SFAMZGBESPIGKW-BKUYFWCQSA-N 527.601 4.567 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409039311 CLIUPPXKCPBROZ-YBFXNURJSA-N 665.272 4.862 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409069076 UTUWIJMMVYYMFT-WOJGMQOQSA-N 591.823 4.545 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089333 IQWJQSAKGNYVQP-LICLKQGHSA-N 571.271 4.863 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OCC(=O)OC 409161803 PVQMLHOJCQVBBG-ZDLGFXPLSA-N 599.912 4.908 10 40 KJCB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 409198568 CBYNTOIGHPLMEG-QJTDOHDFSA-N 584.651 4.837 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(Cl)cc1 409218016 CCXRJZFPKPIJLI-FYJGNVAPSA-N 510.333 4.677 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409224134 KTYNQKXLHLXHQO-VXLYETTFSA-N 676.807 4.545 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409254456 DRGOTDWLXTXQKX-ATVHPVEESA-N 554.386 4.994 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409262328 HTGRFFNTNMCDHT-SRZZPIQSSA-N 551.958 4.788 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(Br)c(OCc4ccccn4)c(OC)c3)SC2=S)cc1 409348144 RSFCFNVHIIKWKE-FYJGNVAPSA-N 586.489 4.987 10 40 KJCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccccc4OS(=O)(=O)c4ccc(C)cc4)C(=O)N=C3S2)cc1 8493459 ONAXKDBZXOTTSB-KYTOZCRMSA-N 516.604 4.739 10 40 KJCB CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1 19367814 LESULNFNEWFHBY-UHFFFAOYSA-N 520.504 4.624 10 40 KJCB biogenic COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC 20287698 WXQQCZYIZQZKIL-MTJSOVHGSA-N 500.964 4.619 10 40 KJCB CCOC(=O)[C@@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 33933602 XQRMMMHCZYYYPB-PVHODMMVSA-N 509.558 4.700 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1C 100413951 IPMVSCMWTBDRKB-VABKMULXSA-N 530.374 4.761 10 40 KJCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1 101090275 BZFJYLVJIAKHIK-UHFFFAOYSA-N 549.002 4.847 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 103851579 XSDJLPMDBUXTMW-YRNVUSSQSA-N 528.197 4.581 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408900459 STFRMBGHZXCQNP-ULJHMMPZSA-N 564.616 4.617 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408905763 DMSPLBWJGPIJIX-HZHRSRAPSA-N 578.419 4.564 10 40 KJCB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408994309 ZFGGPHYYHQBOSL-FYJGNVAPSA-N 546.630 4.774 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409057248 JHIBTTVTSDYOKZ-CYGYJLBOSA-N 595.721 4.553 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409364290 OUBUILZKFXRVKI-JAIQZWGSSA-N 627.379 4.579 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C(=O)NC2=S)cc1 409383550 ZUYSRWRTYLUTIV-CPNJWEJPSA-N 538.000 4.890 10 40 KJCB COc1cc([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 1270330 FDWXBXCYVDUYBC-KCHLEUMXSA-N 567.594 4.660 10 40 KJCB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 2116371 KJBXMRXJWSRHOQ-MTJSOVHGSA-N 515.326 4.931 10 40 KJCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 9242629 LWMBPTYEFOIHOI-JCMHNJIXSA-N 505.512 4.556 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)cc2)C1=O 112245301 WQHBICGKQKSOHW-KGENOOAVSA-N 538.341 4.845 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408544852 XXSLFYNGCRMDII-VXLYETTFSA-N 550.390 4.575 10 40 KJCB CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(C)c(I)c3)c2C)C(=O)O)n[nH]1 408633410 YFTGFKLNBQFTNI-MFOYZWKCSA-N 508.385 4.905 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C2=O)cc1 408740455 KUPJBDFVOYLWLT-BKUYFWCQSA-N 555.372 4.682 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OC(C)C 408802453 FGGIRHYUVMTZKP-WOJGMQOQSA-N 548.377 4.706 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 408896648 GVKITSXJBNXNNZ-RGVLZGJSSA-N 520.925 4.601 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(N(CC)CC)cc3O)c2=O)=N1 409036248 BEBKFEWVDAVIBR-CRCYZHLCSA-N 584.138 4.792 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409230777 GJTWIXBAUOTLOP-SYERDGIWSA-N 563.495 4.855 10 40 KJCB COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2OC)cc1 409380201 KDVVKPDOGLACFP-KEBDBYFISA-N 570.385 4.695 10 40 KJCB CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 408856889 LVURRNBWKSICTD-ATVHPVEESA-N 525.901 4.972 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNC(=O)C(=O)Nc4cc(Cl)cc(Cl)c4)o3)C(C(=O)OC)=C2C)cc1 409184807 HXDSQBCQSMXDGU-ZVHZXABRSA-N 626.449 4.895 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409223509 IEATULJXDNGGBS-RGVLZGJSSA-N 661.836 4.733 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C 409228816 FOUKWHTXDCFGCP-LSHDLFTRSA-N 524.530 4.825 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)SC1=S 409265911 WUNGITMFNDJRQH-MTJSOVHGSA-N 521.060 4.912 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)cc3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 659732 UDZVUEGJXVMIDR-UHFFFAOYSA-N 534.465 4.546 10 40 KJCB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 8424519 OIZCASAOMXEDTK-RJGXRXQPSA-N 530.374 4.761 10 40 KJCB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 100086765 NEYDRVZYZQVNNX-UHFFFAOYSA-N 542.499 4.951 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)C2=O)cc1 101007173 HNNWHSDMQMGACN-HKWRFOASSA-N 571.746 4.913 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225400276 VFNYTNBYKDETLY-KAYWLYCHSA-N 592.703 4.955 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br 408740294 FJWKUMLUMDJXMA-LFYBBSHMSA-N 575.076 4.814 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408802165 XHOJBIDQLIVTJT-VXLYETTFSA-N 540.301 4.742 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408802866 INVDMDZSSJDZAF-UDWIEESQSA-N 521.913 4.892 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408826415 DGSPXISXOHSBGB-PEPUGYCWSA-N 647.709 4.770 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OC)c(OCC)c3)C2=O)cc1OCC 409188742 ABVCMXSFPMWGMH-WOJGMQOQSA-N 608.429 4.548 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl 409253093 VUTFXPXYQCYQLT-JAIQZWGSSA-N 569.357 4.894 10 40 KJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S 409258818 WAVYNPCAFGSPMX-MFOYZWKCSA-N 511.408 4.687 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409261471 DDFVRWGCTVYTTD-KGENOOAVSA-N 578.419 4.840 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409266809 YPASHVSGQANOIE-NDENLUEZSA-N 625.419 4.601 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409403715 ASLXQJCSVWLDBH-NDENLUEZSA-N 526.376 4.871 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 15229585 NBLHKKQCHWZDEW-WRGIITOHSA-N 506.653 4.556 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 103851559 ILFQLGSOKYIFCS-GZTJUZNOSA-N 555.381 4.697 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 224383701 WCMLZGGFXCDJGF-QHCPKHFHSA-N 527.731 4.916 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1 225217101 FSSLAKLBQDJVEU-VSGBNLITSA-N 555.660 4.949 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408813269 MSTJXUFPGDNTGK-SRZZPIQSSA-N 521.913 4.811 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 408915104 USVPMVSTQYOQJL-MKMNVTDBSA-N 544.254 4.990 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409106709 SUJORGKGBANEJQ-SZYVSPPHSA-N 603.144 4.893 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c(OC)c1 409107809 QVTDORHCMFITFO-BOPFTXTBSA-N 527.396 4.866 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409225221 MBSSHDDUIFBYCF-LPYMAVHISA-N 655.445 4.691 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2)cc1C 409376051 SUAGHLKNLQNVHI-YDZHTSKRSA-N 520.010 4.806 10 40 KJCB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc(OC)c(OC)c(OC)c2)cc1 20288852 YQAFWQSLGGRHAH-UQQQWYQISA-N 503.555 4.867 10 40 KJCB Cc1cc2nc(CSc3ccc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)cc(=O)n2o1 41108727 UXEQZIWPWGBHNP-UHFFFAOYSA-N 512.396 4.701 10 40 KJCB COC(=O)c1sc(NC(=O)COC(=O)c2ccccc2/N=N/c2ccc(N(C)C)cc2)c(C(=O)OC)c1C 97979475 ZHHATBIFPQPTQG-ZQHSETAFSA-N 538.582 4.907 10 40 KJCB CCOc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C)cc2OC)cc1 101573430 FINHXEHXJBHOAL-ZVHZXABRSA-N 529.549 4.616 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O 225472461 YRJMIXKCWYZTQC-IOWSJCHKSA-N 632.812 4.883 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408990852 WVAZTXHSJGVWPA-MIUGUJGPSA-N 571.699 4.531 10 40 KJCB COc1cc(C=C2C(=O)NC(=O)NC2=O)c(Br)c(Br)c1OCc1ccc(Cl)c(Cl)c1 408994777 JAJCEHLPTDSNOU-UHFFFAOYSA-N 579.028 4.855 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409074420 ZJKAXTVIZHYXSK-WOJGMQOQSA-N 561.797 4.537 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 9659791 UPTUWTVSGDMIFP-HACRSSKKSA-N 502.577 4.838 10 40 KJCB Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 103848872 OCCAGUZKSRMHOA-NDENLUEZSA-N 529.309 4.504 10 40 KJCB O=C1NC(=O)C(=Cc2cc(Br)c(OCc3cccc4ccccc34)c(Br)c2)C(=O)N1 105496148 VIOATJVFVJMNEH-UHFFFAOYSA-N 530.172 4.693 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC 408807490 CSLZXJXZZXVYTR-NTEUORMPSA-N 507.768 4.875 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 408839899 DBGWZYBGWQFILM-PEPUGYCWSA-N 647.709 4.770 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409047120 NGEYDGZGZUDXSM-WOJGMQOQSA-N 645.837 4.946 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccccc1Cl 409266249 QBFCDTOVYJFWKT-AQTBWJFISA-N 510.333 4.677 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409270984 SKOBXFSMUMESCY-NDENLUEZSA-N 578.419 4.758 10 40 KJCB Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c2ccccc21 9193026 GVAXADSACZYWDW-DCAHJCEHSA-N 510.623 4.630 10 40 KJCB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 16915122 UNXLBPYKZGMPOE-UHFFFAOYSA-N 502.592 4.668 10 40 KJCB Cc1cc(C(=O)[C@H](C)OC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OC(F)F)cc1 103058789 MCBSXCQNBDOOFO-KRWDZBQOSA-N 529.496 4.538 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 408844180 VINOJKAWGGJXJL-LMSRTUJASA-N 576.074 4.557 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408937092 HTYSKKPIHSLARS-YBFXNURJSA-N 540.301 4.742 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 409012351 JGEZOUUFLQFWLL-YDZHTSKRSA-N 584.412 4.727 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 409085253 WVUYLWFMOUPQPV-LFIBNONCSA-N 522.857 4.924 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c([N+](=O)[O-])c1 409096746 GNVFDBGFENCWIZ-MHWRWJLKSA-N 529.336 4.984 10 40 KJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)c1 409106383 LTUOVRCKSLGODJ-SRZZPIQSSA-N 525.378 4.836 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)N3CCCCCC3)c12 409144763 OXUMGMDRSZCHDL-XUVWKZFSSA-N 511.713 4.987 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc(Br)c1OC 409147382 XFWREJOQQWIVHO-CXUHLZMHSA-N 527.849 4.974 10 40 KJCB O=C(NC1CCCCC1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 902632 NMRPNQDBCYQIOT-SSEXGKCCSA-N 550.619 4.614 10 40 KJCB Cc1c(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C 4235438 WOYXZSPIKXPEHK-VWLOTQADSA-N 551.647 4.534 10 40 KJCB biogenic O=C1/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 97957610 MNGHZGJAVOBTFV-IQFISFIMSA-N 544.452 4.630 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 100618115 QDYRAQMQXLCNMY-WOSHRIRTSA-N 576.722 4.867 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccccc1Cl)OC21C(=O)c2ccccc2C1=O 169680821 SNRIIZHGTUHORD-NJYVYQBISA-N 536.765 4.798 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O 225430641 IWGHCJKJWFOXIG-VSGBNLITSA-N 622.729 4.963 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)c(OCC(=O)Nc3cccc(C)c3)c(Br)c2)S1 408532795 VXXSROMAAMZNOJ-MFOYZWKCSA-N 567.259 4.644 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(C)cc3)C2=O)cc1 408807981 PMIKCMOBJWWRIE-HYARGMPZSA-N 549.377 4.790 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409067080 JCTMANOAEPNTEB-QFFYTCKUSA-N 534.685 4.783 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409256637 MMHFCTOZPRVLKG-MTJSOVHGSA-N 625.419 4.601 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409256662 PZDMGFONIHMZRB-BOPFTXTBSA-N 584.810 4.795 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1 409382901 XJCTZHXFUMBVNI-CPNJWEJPSA-N 521.932 4.725 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1Cl 409406151 JNLJUXXFMLXXPW-WQRHYEAKSA-N 560.775 4.994 10 40 KJCB COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1 409407667 NKMXQZKKAZYIDC-UDWIEESQSA-N 556.800 4.590 10 40 KJCB COc1ccc(/C=C2/SC(N3CCN(C(=O)CCCN4C(=O)/C(=C\c5cccs5)SC4=S)CC3)=NC2=O)cc1 11852877 XUWPUDFAWGNXLC-LPFJTETCSA-N 598.797 4.553 10 40 KJCB COc1ccc(N2CCN([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19940870 WCGLEZNCJQWABI-MUUNZHRXSA-N 527.673 4.557 10 40 KJCB CN1C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=O 59087261 DALCYMNKWNOWJP-UHFFFAOYSA-N 516.779 4.570 10 40 KJCB CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S 97947129 LBYVICFCQPXGJX-PLRJNAJWSA-N 582.773 4.952 10 40 KJCB COc1cccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414609 JUQYVWPODHWDKS-URVUXULASA-N 522.340 4.697 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 101007161 MJXHIPOGYLJZLE-NKFKGCMQSA-N 578.716 4.671 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccc(F)cc1 408692571 PMVUEFXLEADJKF-VCHYOVAHSA-N 517.351 4.580 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408807401 CRUWMJJYACOCDL-YBFXNURJSA-N 552.337 4.611 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408811865 ASVOIRMDNSAIJJ-VXLYETTFSA-N 514.390 4.930 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1 409037605 XXWRIKLHTLILOO-IMUCPKNRSA-N 643.762 4.788 10 40 KJCB COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC 409326896 GCLOEXVLVNUCLL-MFOYZWKCSA-N 500.436 4.543 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)cc1 409346181 NMPTXJQLDVJHEG-HAVVHWLPSA-N 506.605 4.699 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409374797 ZNIAFXWBQWXBAY-VXLYETTFSA-N 570.352 4.590 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 9934793 ADKFITCJOJSAMQ-JAIQZWGSSA-N 512.927 4.982 10 40 KJCB COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 100266469 YDQCELWYAKQFFE-AHXGQMSJSA-N 546.630 4.747 10 40 KJCB COc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2cccc(Cl)c2Cl)OC32C(=O)c3ccccc3C2=O)c1 101142669 JUQYVWPODHWDKS-KCZVDYSFSA-N 522.340 4.697 10 40 KJCB 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690.834 4.935 10 40 KJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S 409265713 ODXCRHWENDYXAS-YBEGLDIGSA-N 511.408 4.687 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S 409267072 SCOREYGEQMAQMS-UYRXBGFRSA-N 510.559 4.961 10 40 KJCB CCOC(=O)[C@@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16007449 XQRMMMHCZYYYPB-QKDODKLFSA-N 509.558 4.700 10 40 KJCB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3OC)C2c2cccc(OC)c2O)c(OC)c1 19326076 FFYJUMWIZOXHAY-UHFFFAOYSA-N 508.615 4.842 10 40 KJCB COc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)c1 101108393 OVVPYOMYTJVOKR-YKPJJRJESA-N 543.605 4.614 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223315246 IAZMVJXHNSTAQH-LQGLAIQGSA-N 507.616 4.557 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccc(Br)cc1 408528329 AYCYBRFMKHJZNY-CPNJWEJPSA-N 535.350 4.652 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 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CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408536532 RUBFBJXWSBJNBC-UDWIEESQSA-N 569.448 4.898 10 40 KJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550334 CWGZESNTFCHXJV-REZTVBANSA-N 528.801 4.779 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408828554 HSISSNRFASEIHX-SJJVXOANSA-N 575.712 4.746 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408852294 RYQPRXZLLLQOOC-FYJGNVAPSA-N 584.412 4.727 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 408980156 DXCAGPHGROMUHQ-FQKMCRJQSA-N 529.662 4.724 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409084628 WWJZRYDRUIEJQG-CXUHLZMHSA-N 526.820 4.754 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4Cl)c(OC)c3)C2=O)cc1 409263016 JXZSXEUANQYWIE-WOJGMQOQSA-N 570.385 4.695 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 409263163 ARFYJRFAGWKNHR-HYARGMPZSA-N 578.419 4.758 10 40 KJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCC(Cc2ccccc2)CC1 8819622 HRNGSEBRZGCSCK-ULJHMMPZSA-N 508.665 4.878 10 40 KJCB COC(=O)C[C@@H](c1cccc2ccccc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114213 PMPOMNVFLDXZIF-SFHVURJKSA-N 514.486 4.836 10 40 KJCB biogenic CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN3CCN(C)CC3)c12 100215921 SEEDMUGABJDEII-UHFFFAOYSA-N 532.504 4.863 10 40 KJCB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 103019387 WLVOUDPLSOEFFG-UKDVSSAZSA-N 599.488 4.626 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1 408756234 OVSZNAVNSTWGJX-ZUXOAJPSSA-N 567.711 4.790 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408875212 HJFIYJPJXMNNBO-OBDCIHEFSA-N 629.735 4.701 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408884088 VVJYIIJTMJAYNN-FYJGNVAPSA-N 599.459 4.763 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 408903638 VFRKBVLRIMGAOO-RGVLZGJSSA-N 630.366 4.773 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O 409044818 DKTDETWMWHVNSC-NYYWCZLTSA-N 514.557 4.545 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 409054202 IBMDJHMWKGYWPP-NJGZBDCRSA-N 565.695 4.544 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409131752 WTOMGIPDAIPVFC-XQNSMLJCSA-N 545.548 4.633 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3ccc(OC)cc32)S1 8836029 JJSNLTIPAMKUDV-UHFFFAOYSA-N 507.655 4.553 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 103843850 OEYXRSNYUYKAIB-REZTVBANSA-N 555.326 4.666 10 40 KJCB CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC 408824306 HVTIXMRQUKWDHP-RIYZIHGNSA-N 523.369 4.865 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OC(C)C 408899289 OALVAOGUGPPZKC-NVNXTCNLSA-N 507.768 4.873 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 409017837 HWPXQDSQVFUNPE-OGMUYLFESA-N 614.768 4.679 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c2=O)=N1 409039421 QYVZWNSEXYKBHI-YNMQQHPQSA-N 525.674 4.823 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 409064365 PCPOMOPHHPONEE-FUFNRSNVSA-N 586.670 4.513 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409265010 HLACVPLKSBMPMS-UNOMPAQXSA-N 580.460 4.615 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)c1 409378491 QDHCBSROHYOKDQ-MYYYXRDXSA-N 529.618 4.502 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)C1=O 409382017 XIGHQIAEVBHGGZ-QGOAFFKASA-N 521.932 4.725 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(I)c(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 409383158 UXEZQRKMLFDZMW-XWAFYUISSA-N 564.445 4.871 10 40 KJCB COc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)c1 409386917 ONFJAXRGQHHUMW-AFUMVMLFSA-N 501.608 4.724 10 40 KJCB CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cc6ccc(F)cc6F)(Cn6cncn6)C5)cc4)CC3)cc2)c1=O 575320588 HCRFYKWXJNNFPS-KHOZGHFPSA-N 714.818 4.659 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cccs1 2987561 LYCXBHSHYXMJRH-GJFKPFFXSA-N 517.676 4.576 10 40 KJCB COc1ccccc1OCCCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 6298649 SAJITUCCRUPXTH-PTGBLXJZSA-N 501.583 4.914 10 40 KJCB COc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 9428326 LMYYLYKUJNWUPA-QJOMJCCJSA-N 513.525 4.925 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 164401930 NEEQMSOVHYXHBG-LICLKQGHSA-N 633.395 4.757 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)c1C 225494655 GENMSCLEGRTIII-NSOVKSMOSA-N 605.742 4.833 10 40 KJCB CC[C@H]([C@H](C)O)n1cnn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 226849353 UQVXLZZMWCZLHS-HVLRKXNMSA-N 700.791 4.573 10 40 KJCB CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408533118 OCUQPLVORXODPU-VBKFSLOCSA-N 509.408 4.967 10 40 KJCB CN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)NC1=S 408914602 RBBLOWOXSAWPCI-KQWNVCNZSA-N 508.559 4.976 10 40 KJCB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3)C2=O)ccc1Cl 409168719 NEPLFPXDGPKHKG-FYJGNVAPSA-N 514.003 4.792 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409256533 LWWZNKPXJPOZBW-HYARGMPZSA-N 578.419 4.758 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(I)c1 409399417 IKMKYMIGOHSTDQ-PDGQHHTCSA-N 530.749 4.985 10 40 KJCB COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1 28296972 VIKXUNNUNDDJDU-IOVUBPJKSA-N 510.549 4.761 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592464 WEWAZSXMHGSXKJ-PCLIKHOPSA-N 526.058 4.676 10 40 KJCB CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)N=C1O 59087294 GFNMYNBEKSEADV-GZTJUZNOSA-N 516.779 4.822 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(I)cc1 97962703 MIOFDFMHCKZIIC-PXNMLYILSA-N 667.284 4.769 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 208471070 AMWBBSFCGUFOAX-UDWIEESQSA-N 565.376 4.710 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cccs2)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408825737 BUVQKZDCMCARTQ-SJJVXOANSA-N 575.712 4.746 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F 408887193 MJLZGQPWKWSFNQ-WOJGMQOQSA-N 572.330 4.684 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2Cl)cc1 408898752 MLNZIZOCSDCIDN-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)c(=O)n32)cc1OCC 408938915 SQAOGZMIYSCZGV-SWFNHZAASA-N 585.726 4.840 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 409002645 VXJAVUBWRWQOQX-CPNJWEJPSA-N 542.304 4.676 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1 409220778 FPTUOFHTYFKMSL-CIAFOILYSA-N 527.524 4.731 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409257979 VSSRRURQUUXGOP-OEAKJJBVSA-N 533.968 4.649 10 40 KJCB COc1cc(OC)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1OC 3341943 PHWMYXAWULXOIS-UHFFFAOYSA-N 502.361 4.922 10 40 KJCB CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 10113542 HVYRCYWWRXMQJF-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C(O)N(c4ccc(Br)cc4)C3=O)o2)cc1 13801007 FBOUQBQXKRHMJD-UYRXBGFRSA-N 509.312 4.757 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 223502922 REURIPXURXEMRD-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408532727 IVUUQDNLARCUDP-MXLFOVIASA-N 580.391 4.627 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 408981034 HJZASHUYKCZRJJ-XQNWCSQWSA-N 525.674 4.823 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1OC 409335351 ZELXDCWKGMENLR-GZTJUZNOSA-N 526.421 4.780 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409350064 XCFCHYZWIIDCGK-NHDPSOOVSA-N 572.598 4.506 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 113832765 MCVKNPZZFDNTMJ-DEDYPNTBSA-N 573.586 4.685 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1cccc(F)c1 408691972 ADKFCFZNDWONMW-VCHYOVAHSA-N 517.351 4.580 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)c2C)sc2c1CCCC2 408786703 MPCFTNFEQBAXEC-QGOAFFKASA-N 521.570 4.627 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 408821006 BGRHIUPJHIWJKE-PIXWUVMMSA-N 570.671 4.731 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 408894244 BTVWHNQZYDCCAE-IWIPYMOSSA-N 531.521 4.638 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 408939263 MDNNWJQAQKCQTM-YBFXNURJSA-N 538.915 4.821 10 40 KJCB CCOc1cc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)cc1N(CCOC(C)=O)CCOC(C)=O 95660889 VQIRFOAILLIZOY-BYYHNAKLSA-N 639.416 4.971 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 164402221 CCGFJODCDYIMTK-LICLKQGHSA-N 632.407 4.547 10 40 KJCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408534115 LIQDYSAASBTXLA-YNHWYZLUSA-N 580.391 4.627 10 40 KJCB 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N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102469723 BGLWAAMMVLKCLZ-ZAXJVRRPSA-N 531.041 4.975 10 40 KJCB O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21)Nc1ccccc1 408766949 XLINLQWKKOPVRG-HMAPJEAMSA-N 559.445 4.874 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)C1=O 408887861 ULEUPALYQTUJMZ-MOSHPQCFSA-N 599.459 4.763 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1F 408889935 LJHUKOZRBYLSMR-UYRXBGFRSA-N 511.372 4.999 10 40 KJCB O=C1/C(=C\c2cc(I)c(O)c(I)c2)C(C(F)(F)F)=NN1c1ccccc1 408972798 VOCQOGMDIAXLKY-WDZFZDKYSA-N 584.073 4.950 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1 409240670 LSSSMXCAOCCUQN-ZVHZXABRSA-N 533.606 4.873 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OCC 409369979 IRINJLFBVQMRDK-KOEQRZSOSA-N 617.655 4.965 10 40 KJCB N=C1/C(=C/c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 9454830 ACYXADSEKYRPJQ-ANYROYSUSA-N 503.971 4.860 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 18266885 PGSHGPYRJVJDQT-HKBOAZHASA-N 509.411 4.540 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 103849878 GOLFFDRVLVARHG-VXLYETTFSA-N 570.327 4.750 10 40 KJCB O=C1C[C@H](c2ccc(-c3cccc(C(=O)O)c3)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108451331 SPBIGAKSKGYXBN-OAHLLOKOSA-N 542.452 4.682 10 40 KJCB biogenic COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC 225300884 XTPLCRCHYFKLPF-WDYNHAJCSA-N 556.692 4.963 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c3ccccc32)c1 408544525 WWRYXUUWLGRUHP-OEAKJJBVSA-N 558.388 4.905 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408800173 NJWXLJUXQGWRCM-RGVLZGJSSA-N 538.915 4.520 10 40 KJCB O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(Br)o1 408850282 KFHUZUZIYFLCQJ-QPJJXVBHSA-N 525.005 4.943 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1=O 409221886 BOBHSLNNIITWBZ-CIAFOILYSA-N 524.360 4.986 10 40 KJCB Cc1ccc(-n2c(C)cc(C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc3Cl)c2C)cc1C 3313325 DJDJQHKVFBYEFT-UHFFFAOYSA-N 517.047 4.647 10 40 KJCB CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 9087548 IKVJYZCLCGIDKT-UBFVSLLYSA-N 523.545 4.859 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 97946662 IBPPPULFFPBSPK-JCMHNJIXSA-N 554.141 4.840 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 408538186 ZBJKSIOMOUZHFR-KPLVBVSQSA-N 561.934 4.932 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 408888802 AXPKBQAQRSPCGR-UNOMPAQXSA-N 511.372 4.999 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1 408889587 FRXMQJQSEMUJKX-XDHOZWIPSA-N 508.889 4.511 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 408903753 YJJXWOHMMRCMHA-UDWIEESQSA-N 582.382 4.671 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408908864 SRPVRDZKMKAKSV-YDZHTSKRSA-N 584.412 4.727 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1cccs1 409055278 DPABKZHEFUSZPU-CBEFOCLBSA-N 541.698 4.597 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 409260340 OYXBBFFHXPGKHG-WQRHYEAKSA-N 510.333 4.677 10 40 KJCB CN(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 906018 WBDIUEUJWJEYNB-MUUNZHRXSA-N 530.698 4.778 10 40 KJCB CCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2cc(Br)ccc21 16733279 CZMADMMCJWDMQI-ZCXUNETKSA-N 511.463 4.812 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC(=O)OC 100341170 IOPYUIFWEDZFJU-WOJGMQOQSA-N 585.441 4.656 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 225386175 KKZVGJVXTVDESW-IHLOFXLRSA-N 602.786 4.874 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1NS(C)(=O)=O 225427624 KSXLGLKNZMFOSG-SVBPBHIXSA-N 591.715 4.745 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 408531974 HRASCWUAAZVSIL-MLUQCUIJSA-N 532.936 4.642 10 40 KJCB Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 408809761 IQROZDKJRBXVIZ-CIAFOILYSA-N 536.338 4.911 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(C(=O)O)cc5)c4C)c(=O)n32)cc1 409036500 RMXAOHUGLLCKKV-HRIDGTDGSA-N 599.709 4.691 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(I)c1O 409268291 RYABAXGTNSZOHN-ATVHPVEESA-N 511.406 4.839 10 40 KJCB O=C(NC1CCCCC1)[C@H](c1ccc(O)c(O)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1 902643 IHLLSFCNIQRJGH-MHZLTWQESA-N 534.016 4.719 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1 8399367 SXABGJNFMSIQQJ-ASUJOLEISA-N 618.715 4.988 10 40 KJCB COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 9309263 FZBSOZQJJQYXTF-CZBKRSFESA-N 521.002 4.827 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c(Br)cc1OCC(=O)O 97960593 BNCSZYYFFLQEBM-NSIKDUERSA-N 537.750 4.780 10 40 KJCB N=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 101139462 FHZOOZGIOGNVDW-ZXLLOHKYSA-N 531.041 4.975 10 40 KJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 103922848 MRCYXKRPAZORMD-ONUIUJJFSA-N 531.565 4.645 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 163639592 BKYXYSZIVIKXGZ-UPWSPCOFSA-N 683.568 4.828 10 40 KJCB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4Cl)s3)cc2)C1 223136086 WITYMVDNXFCVKE-CQSZACIVSA-N 540.498 4.812 10 40 KJCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1 260803040 YECNEAIBSYWVEL-UNMCSNQZSA-N 504.096 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408529782 DDDFPZNHSFBPDL-XNTWCPQXSA-N 594.361 4.585 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408851209 ADUYOCFTBIEDGX-GIJQJNRQSA-N 569.339 4.571 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 408937227 IMKHZWPNQVDYFL-XDHOZWIPSA-N 522.311 4.603 10 40 KJCB COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408982744 FCQYYZWHLNHSAX-XGICHPGQSA-N 528.584 4.848 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)N1CCCCC1 409137180 UIWYCIVKRRYQAR-UTYYKHSJSA-N 548.528 4.797 10 40 KJCB CCOc1c(I)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409207288 RHOKMUPQPUPLRB-MHWRWJLKSA-N 514.410 4.654 10 40 KJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1 409226852 WAHCPLAJWLAAFV-YBFXNURJSA-N 524.360 4.986 10 40 KJCB COc1ccccc1OCCOc1c(I)cc(/C=C2\SC(=S)N(C)C2=O)cc1OC 2959388 UKDLROUUVOLYHJ-PDGQHHTCSA-N 557.431 4.597 10 40 KJCB CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 100763519 OMOSOFCTSMIQMX-PSRBBBRCSA-N 554.141 4.983 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 101481520 LTGPGKXGUSAGQW-BHDDXSALSA-N 506.341 4.997 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1OC 225296721 DYPRLJXPOAAWRD-WDYNHAJCSA-N 585.686 4.958 10 40 KJCB COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408552175 OYHADBXKMMDQKO-REZTVBANSA-N 620.252 4.731 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 409005215 SHFOJKVQFNUPHN-WSDLNYQXSA-N 572.376 4.858 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O 409124930 CHBAHCNCVMXVNM-MDWZMJQESA-N 554.260 4.764 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OCC(=O)OC 409146771 USRYZFSLWMNEOL-UKWGHVSLSA-N 565.113 4.739 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409249878 JAKDVFYTIZIKHR-JMIUGGIZSA-N 670.416 4.509 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Cl)c(Cl)c1 409400544 SXANOBAHWQZOSU-MFOYZWKCSA-N 514.321 4.951 10 40 KJCB COC(=O)Cc1c(-c2ccc3c(c2)OCCO3)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12 604404240 ADJYWSIZBJPWPT-UHFFFAOYSA-N 500.459 4.771 10 40 KJCB biogenic COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)cc(Br)c2O)cc(OC)c1OC 8443726 GUHLSHIDEGVJOM-QFIPXVFZSA-N 607.255 4.855 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1cccc([N+](=O)[O-])c1 59136086 KKEUVMZMQCEWNS-LDADJPATSA-N 507.499 4.993 10 40 KJCB CC(C)C[C@]1(C(=O)O)N[C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@H]21 98005082 PQHOEFVMQZJKPK-ORQYLMBXSA-N 603.240 4.623 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1F 100225097 RVUKASYRRMNIKV-MHWRWJLKSA-N 516.367 4.966 10 40 KJCB 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COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c3ccccc32)c1 408542312 KNLWOQPBFRFXMM-BUVRLJJBSA-N 509.587 4.616 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408849882 AFHIHQGMSHNWCA-CNHKJKLMSA-N 609.385 4.551 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCC 408895251 DFHNUUGWATYXAS-DHDCSXOGSA-N 552.219 4.984 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccccc5C)c4C)c(=O)n32)cc1OCC 408932766 DWSSNSJSWAVFIU-UDFIABOWSA-N 571.699 4.531 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 409009061 STXKAHDLJWXQET-BUVRLJJBSA-N 547.995 4.764 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C 409223244 DWMAQWQYUGGXRO-LPYMAVHISA-N 518.595 4.966 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409256633 MLBTWCLTAVBUIB-PDGQHHTCSA-N 540.359 4.686 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409270534 QNGQGFUKXNJIKN-MTJSOVHGSA-N 563.994 4.745 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 2079937 NTERBMWOSFXHCV-XYGWBWBKSA-N 527.577 4.535 10 40 KJCB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12C(=O)Nc1ccc(Br)cc12 98007437 WLVOUDPLSOEFFG-NGXZDTIWSA-N 599.488 4.626 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330018 ZMXVGSMNNJHOBS-PXJZQJOASA-N 621.664 4.803 10 40 KJCB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)N(c4ccc(Br)c(C)c4)N=C3C)cc21 408526204 AIILLNLIUQWAFL-VBKFSLOCSA-N 527.379 4.540 10 40 KJCB COc1cc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1OC 408536890 TULGTDLYEINNOO-ODLFYWEKSA-N 570.476 4.617 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(O)c(Br)c3)C2=O)ccc1Br 408760082 RFTFZQDWEQWGCP-VZUCSPMQSA-N 514.557 4.545 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408903294 WZUZOJHZDNCIJC-CXUHLZMHSA-N 569.193 4.802 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1 408945601 XAEVCISSMCJZNW-VXLYETTFSA-N 632.794 4.897 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408985608 NWYQOAWQVIETAQ-JBDHCHCMSA-N 592.117 4.876 10 40 KJCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)SC1=S 409123893 IWUHXQHJTKFUQK-NDENLUEZSA-N 536.517 4.654 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N(C)Cc3ccccc3)nc12 27016753 DSVATZUQXOPCMH-KGENOOAVSA-N 502.621 4.634 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 97947739 FNGLFZDAGHDABR-QJOMJCCJSA-N 551.713 4.860 10 40 KJCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc(I)cc1 100390375 NGKIYAUBMSMCNC-LZYBPNLTSA-N 575.833 4.818 10 40 KJCB CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(Br)cc3C)N=C2C)cc1 101128394 BOXLCDCQJQRJLY-XSFVSMFZSA-N 505.438 4.507 10 40 KJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl 103859129 NVTRQMJLMWCKDS-GZTJUZNOSA-N 529.730 4.816 10 40 KJCB O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)NCCN1CCN(C(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 150447625 DLBADBDUKXMBJE-IIPLHSFTSA-N 717.964 4.552 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408903147 UYQRGRFCMYWDNY-CXUHLZMHSA-N 616.193 4.644 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(Br)cc1OCc1ccccc1F 408913710 NFEPUXLBERZLIX-GIJQJNRQSA-N 543.320 4.981 10 40 KJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1 408960738 IIUNBVDMRAZDKS-WOJGMQOQSA-N 509.312 4.691 10 40 KJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)NC1=S 409007798 RQZWMAMAHBTMHP-SXGWCWSVSA-N 541.221 4.776 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409059195 VHBICNDTGAEYGY-GZTJUZNOSA-N 584.810 4.795 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)C1=O 409249696 KGPSZFILCHVTCY-LDADJPATSA-N 524.360 4.986 10 40 KJCB O=C(O)CN1C(=O)/C(=C/c2cc(I)c(OCc3ccccc3)c(I)c2)SC1=S 409348468 NPEAHWWYFSTABV-NVNXTCNLSA-N 637.258 4.761 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409362121 FTNXKSJVYGMUBK-NDENLUEZSA-N 645.450 4.678 10 40 KJCB COC(=O)c1c(NC(=O)CCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)sc2c1CC[C@@H](C)C2 2085668 GFHYAPKOCBZFEU-ZIAGYGMSSA-N 532.684 4.990 10 40 KJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1 70687965 KEZTYXUHQZMREF-KCHLEUMXSA-N 537.568 4.652 10 40 KJCB biogenic CCCCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1Nc1ccccc1 97990153 VKEYRUQXPYNSRL-BENVAKDZSA-N 583.739 4.649 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100329993 BLXYZIAWEGJZRA-SVEHJYQDSA-N 621.664 4.803 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408804461 AAUDCIHMNSVLEH-DJKKODMXSA-N 597.334 4.520 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Br 408895436 MUOKIASWIWQFMR-ATVHPVEESA-N 525.330 4.842 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c2=O)=N1 409035283 JLYUSQDMOROOAH-OCEWKHMESA-N 532.065 4.859 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 409243345 VTQZUOMKVMMWQU-BKUYFWCQSA-N 577.522 4.718 10 40 KJCB CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409339567 WHBXAOZUNNAMAU-YVLHZVERSA-N 523.386 4.705 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 409346782 LIDHNHVYCYKUEG-MFOYZWKCSA-N 573.405 4.787 10 40 KJCB Cc1cc(C(=O)[C@@H](C)OC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(OC(F)F)cc1 3443999 YIBNPWZXMICXLM-GOSISDBHSA-N 524.520 4.886 10 40 KJCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 9245143 PWZRXIPASIEJAE-JCMHNJIXSA-N 505.512 4.556 10 40 KJCB CCOC(=O)[C@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 9293466 XQRMMMHCZYYYPB-KWXIBIRDSA-N 509.558 4.700 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccc(C)cc1 9724190 LWDWCLLEJRUKRU-ULJHMMPZSA-N 500.551 4.826 10 40 KJCB CCN1/C(=C\C=c2/s/c(=C3\SC(=S)N(C)C3=O)n(CC)c2=O)C(C)(C)c2cc(-c3ccccc3)ccc21 100496787 NKJFAAYGWSYTCH-SSUUTUPWSA-N 547.771 4.677 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl 105511742 ARXHOXGPXLNMSD-GTWFGUSFSA-N 532.065 4.859 10 40 KJCB COC(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 108451190 ZATXTVOLFQLFGI-AWEZNQCLSA-N 548.422 4.582 10 40 KJCB biogenic COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C\c5ccc(OC)c(OC)c5)SC4=S)CC3)C2=O)cc1OC 150425828 YJEILCNXTUDYQK-QFYPEMSYSA-N 770.977 4.665 10 40 KJCB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408534417 LWCMQKQBIJVKRS-STZFKDTASA-N 519.351 4.952 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408551303 BZPUIISULSALIY-ODLFYWEKSA-N 555.330 4.586 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408767760 GVVAPVCTXFIURC-UNDLXJOSSA-N 537.685 4.879 10 40 KJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 409003673 JMNQTZNRXUYDSJ-ZVHZXABRSA-N 547.995 4.682 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409081015 OWKBMVQLYKYSPL-GZTJUZNOSA-N 522.857 4.924 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409254155 HVXJMMUBTNCJQJ-DEDYPNTBSA-N 552.356 4.581 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409254239 HZMDKLYNFKNKDP-JAIQZWGSSA-N 578.965 4.639 10 40 KJCB COCC(=O)N1CCCCCCCCN(C(=O)c2cc(N3CCOCC3)ccc2OC)Cc2ccccc21 643587424 CMARXTCHALGBPW-UHFFFAOYSA-N 523.674 4.508 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1C 13757662 BCEJHSBRFFWVQV-PPIATVRMSA-N 513.579 4.524 10 40 KJCB O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 32594767 KXEYALCODFJPHL-STZFKDTASA-N 503.630 4.663 10 40 KJCB COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c31)c(=O)n2CC(C)C 97971927 YRKQVTCDNXWTQI-IBGZPJMESA-N 569.566 4.997 10 40 KJCB biogenic Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 103579780 VXMNIRSGQWRXLW-OHMBLGONSA-N 502.644 4.733 10 40 KJCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccco1 408532597 IKHXVAIBRPZLFV-WJDWOHSUSA-N 607.154 4.532 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408552455 PSWARWPIUCQZAB-ODLFYWEKSA-N 570.385 4.782 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409225892 SGXGTVNWCFSMOU-LPYMAVHISA-N 533.968 4.731 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C 409266799 RMTJPFUOTKDCPE-HMAPJEAMSA-N 520.010 4.806 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(C)c1 409373030 PORQVDSKWYEOOI-VXLYETTFSA-N 525.355 4.600 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409374048 YDRAPSIFENJWPA-LICLKQGHSA-N 515.747 4.937 10 40 KJCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)Nc5nccs5)cc4)o3)C2=O)cc1Cl 8442296 UDCWCXAFKZOYDF-UYRXBGFRSA-N 541.010 4.627 10 40 KJCB Cc1ccccc1[C@@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@H]12 13739107 AWOHXJAXTOIZGJ-FSSWDIPSSA-N 505.448 4.709 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)SC2=S)cc1 100833483 WSGDBXDNTDLCBR-FYJGNVAPSA-N 519.560 4.669 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(Cn4c(=S)[nH]c5ccc(Br)cc5c4=O)cc3)CC2)cc1 102753170 NHTPFPOIURESBS-UHFFFAOYSA-N 565.493 4.841 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1NS(C)(=O)=O 225484722 ODSIQGXYYGIIRP-RRPNLBNLSA-N 562.721 4.750 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] 408846069 IIOCVDUQFGBPBW-WEVVVXLNSA-N 531.171 4.504 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 408896593 OONWHXNRPPJLOC-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Br 408900514 TZTUTUJJXAKACN-GDNBJRDFSA-N 522.193 4.975 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2cc(Br)ccc21)N1CCCC1 409134104 OUXJNKJWFWOAMO-FBHDLOMBSA-N 541.496 4.823 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409272991 UQFLEFUTIUYKEQ-UNOMPAQXSA-N 524.360 4.986 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1 409337977 APRLFKOTXAAKLA-DEDYPNTBSA-N 509.634 4.620 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Br)c(Cl)c1 409348359 SHOVFCSFJBVDPL-APSNUPSMSA-N 513.822 4.617 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 409378056 MWFXJOQKHOBGMI-LDADJPATSA-N 629.261 4.904 10 40 KJCB COC(=O)c1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N(C)C2=S)cc1 680426 PXTDEQQVTBAMPF-BUVRLJJBSA-N 501.608 4.671 10 40 KJCB Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O)c3c2C(=O)c2cccc(O)c2C3=O)c(S(=O)(=O)O)c1 4706998 QNCHUVVZYAZOHD-UHFFFAOYSA-N 594.623 4.765 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 8819883 FFGXKUALLBRABI-GFMRDNFCSA-N 509.697 4.806 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 97947737 RVQBHTQWEAMIDN-NMWGTECJSA-N 551.713 4.942 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@@H]23)cc1 169682884 LTGPGKXGUSAGQW-YPAWHYETSA-N 506.341 4.997 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225399350 MCYGYYCZOPGRLT-KAYWLYCHSA-N 592.703 4.955 10 40 KJCB CCn1c(=O)n(CC)c2cc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)N=C3C)c(Br)cc21 408538717 PRRGPKBCBLUPPQ-VBKFSLOCSA-N 502.800 4.977 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 408880230 GRSIIKKRGLLKLR-FYJGNVAPSA-N 553.340 4.620 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC 408903202 VOCGMMGYWGFMPM-VCHYOVAHSA-N 508.415 4.805 10 40 KJCB COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2OC)c1 408969465 NVMPRDXWJZZBKD-XKZIYDEJSA-N 536.968 4.790 10 40 KJCB O=C1/C(=C\c2cc(I)cc(I)c2O)C(C(F)(F)F)=NN1c1ccccc1 408970732 CRQSDILODNRWJS-GHXNOFRVSA-N 584.073 4.950 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)cc3)C(=O)NC2=S)cc1 408999132 KKNOXUAWXPFZAS-HYARGMPZSA-N 570.408 4.710 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1 409038682 AONNLMRQTMAFFE-HYARGMPZSA-N 608.445 4.930 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OCC(=O)Nc3ccccc3)C2=O)cc1 409257351 QGMMWIXKRGCUDU-NDENLUEZSA-N 657.271 4.682 10 40 KJCB O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1C[C@H]1CCCO1 1099072 DBURMMRZGFHUQA-SPMKTWQFSA-N 505.621 4.691 10 40 KJCB COc1ccc([C@@H]2NC(=S)N[C@]34Oc5c(ccc(O)c5O)[C@@H](c5ccc(OC)cc5)[C@H]3CCC[C@H]24)cc1 1440885 ISPSPYAXVKKUQA-KDRWPHSASA-N 518.635 4.971 10 40 KJCB COC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 2120718 QXJGSFHPCWZNOM-UQDCTOEPSA-N 569.683 4.637 10 40 KJCB O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1 9271821 ABIREDLIAYWERK-XIEYBQDHSA-N 500.580 4.966 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 16312009 LSSXKZMWUNIEEH-UHFFFAOYSA-N 528.074 4.510 10 40 KJCB CCN1/C(=C/C=C\C2=[N+](CC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 72131072 RHCLJBKXGJHOCN-UHFFFAOYSA-O 545.703 4.834 10 40 KJCB in-vitro COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 225494196 DHXVWNKVNQIPSZ-SVBPBHIXSA-N 563.705 4.747 10 40 KJCB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4Br)C3=O)cc21 408528283 HGZQBNNPICBYGJ-XMHGGMMESA-N 649.502 4.594 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccccc1 408530282 DTWQHVMFLGKEFA-UYRXBGFRSA-N 525.742 4.988 10 40 KJCB COc1ccc(C2=C/C(=C\c3cc(I)c(OC(C)=O)c(I)c3)C(=O)O2)cc1 408742330 OIVSADJRGGUTQX-VGOFMYFVSA-N 588.135 4.811 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C2=O)ccc1Br 408758867 SUZLVLBOMSYESN-UDWIEESQSA-N 536.382 4.838 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408785932 JZFWZCLYXOFZHE-RVDMUPIBSA-N 525.409 4.901 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OS(=O)(=O)c1ccccc1 409142934 LXFFOFVFWINVJO-HMAPJEAMSA-N 575.089 4.971 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 409240118 JRFLVYJGQCOAIP-UNOMPAQXSA-N 583.913 4.755 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1C 409265863 WINILRKMMQWAJN-NDENLUEZSA-N 641.487 4.765 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 409366314 ZYMYUPHAKUQJMO-CIAFOILYSA-N 659.408 4.522 10 40 KJCB COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)O)cc2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971863 KKTYYSYVPYMWLC-INIZCTEOSA-N 574.494 4.641 10 40 KJCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103849884 VKHPQKYATYNFJE-VXLYETTFSA-N 570.327 4.750 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)ccc1NS(C)(=O)=O 225427835 KWKSGEWYMFLIPY-SXOMAYOGSA-N 591.715 4.745 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2cccc(F)c2)c1 408890161 OVDYBGSKSXDAIH-CIAFOILYSA-N 525.330 4.842 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1 408938282 PXKSWSJTCRJMBF-UNOMPAQXSA-N 531.373 4.736 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408942862 RARWOMFSWCLBQR-YBFXNURJSA-N 511.317 4.937 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408953258 PKIKQUPCEGCFQW-OEAKJJBVSA-N 510.477 4.953 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O 409015161 APLVOIHOVBTZJE-OQLLNIDSSA-N 509.809 4.770 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C2=O)cc1OC 409140156 FGFWHFWIAQCWCV-HYARGMPZSA-N 548.567 4.873 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409257014 NJDIFWGJZXXVAX-MTJSOVHGSA-N 594.487 4.923 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)c1 409271789 NDYHSQFZOZAPEM-MOSHPQCFSA-N 548.393 4.750 10 40 KJCB COc1ccc(NC(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 9232226 CTTYHKQGCBQVGV-LANLRWRYSA-N 500.598 4.695 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223542134 UNGBVUHVJCKCHK-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Cc1cccc(F)c1 408872507 FNUZCZZSWPBXSD-KEBDBYFISA-N 601.328 4.604 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408941909 QBOKEBMJHHALMC-UDWIEESQSA-N 539.313 4.532 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409219655 SWFKQEYMJWSJPD-RGVLZGJSSA-N 570.385 4.695 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)SC1=S 409250171 WISQFVVDJHZBSU-WQRHYEAKSA-N 568.458 4.847 10 40 KJCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 9282001 FHGOABAMXCQOAG-XDXPSGJKSA-N 509.035 4.769 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1OC 14406678 RZORXXIVDSDPQL-AQTBWJFISA-N 502.361 4.742 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc2c(c1)OCO2 59136088 DHHJADFWUNVBSP-LICLKQGHSA-N 506.511 4.814 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl 101038989 NRSJJIXONTXBPR-WKMFJAONSA-N 533.997 4.869 10 40 KJCB C[C@@H]1CCCN(c2cc(Sc3ncccn3)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1 225954028 NAXGSQQGWIBUND-LJQANCHMSA-N 520.732 4.741 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c([N+](=O)[O-])c1 260922628 QPYAQVSEGGCOJE-UKDVSSAZSA-N 507.616 4.557 10 40 KJCB CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)c1 408740883 NIGAKFAYEKYQDT-XKZIYDEJSA-N 571.440 4.929 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 408741920 SPFDJYKCHTYZIM-DEDYPNTBSA-N 507.340 4.703 10 40 KJCB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408846179 PEYFLLILPVKWOW-BUVRLJJBSA-N 541.025 4.627 10 40 KJCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 409148740 RCGLSPYAVBBRGN-FMCGGJTJSA-N 588.549 4.967 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(C)ccc4C)c(Br)c3)C2=O)cc1 409258368 WPPXXYXCFJPFNH-FYJGNVAPSA-N 578.419 4.758 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccccc1 409373988 XJZZWIOANDVDGV-YBFXNURJSA-N 525.355 4.682 10 40 KJCB 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O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408935337 CYAFAUJRVSZERJ-BUVRLJJBSA-N 538.472 4.902 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408943938 STWFHHXNROUPOT-YBFXNURJSA-N 539.313 4.532 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1 408965782 IMZADQOCNIWZCW-XYGWBWBKSA-N 500.599 4.932 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2=O)cc1 409086079 YEYGBCDRRJSTGM-LDADJPATSA-N 555.421 4.859 10 40 KJCB O=C1NC(=S)NC(=O)C1=Cc1cc(I)c(OCc2cccc3ccccc23)c(I)c1 409092052 SNORJOQLORYRNV-UHFFFAOYSA-N 640.240 4.542 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 409228817 FOYDJEINGDURFK-UNOMPAQXSA-N 565.467 4.541 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)cc1Cl 409271143 KASMUCUPPHCOBF-OCKHKDLRSA-N 569.357 4.894 10 40 KJCB 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CN1C(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N(C)C1=S 59139361 SUNMQJLKMQBFTQ-UHFFFAOYSA-N 514.228 4.934 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(Br)cc1OCc1ccc(C(=O)O)cc1 97961102 ANFOLQUGOKDFHR-QGMBQPNBSA-N 595.358 4.970 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC 97962121 PMAIZMJJSOVVFK-LFVJCYFKSA-N 563.657 4.658 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 408803589 QVFHJVXXMGACMU-HZHRSRAPSA-N 504.926 4.762 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1ccccc1F 408868369 OGOKKWDQXOHBSI-YBFXNURJSA-N 556.331 4.696 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1Cc1cccc(F)c1 408885368 ZZGYDEXDRVYOQZ-KEBDBYFISA-N 509.877 4.653 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 408989995 VXPOKCBQAXIJTE-LDADJPATSA-N 510.300 4.846 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cccc(OC)c1 408997575 HHECGHYHLSASOV-ZUXOAJPSSA-N 567.711 4.790 10 40 KJCB COC(=O)COc1c(Br)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409037667 UFVVUSCRWCOIBI-ONNFQVAWSA-N 549.246 4.511 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409068874 JWLQKDURFIXBFI-GZTJUZNOSA-N 605.850 4.854 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4OC)C3=O)c2C)cc1 409096301 KLTPRULMHSVNOO-LFVJCYFKSA-N 532.666 4.789 10 40 KJCB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1 409247997 FOQXBXNKLFMZNJ-GRSHGNNSSA-N 569.357 4.894 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)cc4C)c(OCC)c3)C2=O)cc1 409267085 SHJPKGAMPFOSDZ-LFVJCYFKSA-N 557.603 4.785 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2518757 STHXXHHMALVKOC-JAIQZWGSSA-N 567.417 4.566 10 40 KJCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c(C)n1-c1ccc(F)cc1 3335670 DNSKQKRJYADQPT-UHFFFAOYSA-N 520.582 4.751 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1COc1ccc(NC(C)=O)cc1 13765656 XYNILMRXWHMNOC-UQQQWYQISA-N 517.582 4.585 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408550363 DCVXTUOKVCNDAA-WQRHYEAKSA-N 556.427 4.851 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408730918 VVCAPCXVFNLFSB-YNMQQHPQSA-N 586.670 4.813 10 40 KJCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731631 OFBITSDHXXLIGA-OIUASMPBSA-N 642.734 4.859 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1OCC 408935776 NRKHQYKGXWHXHH-BZQABXOYSA-N 571.699 4.531 10 40 KJCB CN1C(=O)/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 409149733 OWNULGHPWMZLKE-BOPFTXTBSA-N 532.847 4.783 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC 409227555 ZLADAUBFZACPQK-HYARGMPZSA-N 594.020 4.830 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1C 409254260 YOBDIHKXJLWYFI-HYARGMPZSA-N 548.393 4.750 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100414909 LNDUMNMWNDUWSG-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 103919195 ZZBFUMLNCCXMBY-HAHDFKILSA-N 556.004 4.728 10 40 KJCB O=C1C[C@H](c2cccc(OCc3ccccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108447736 KIMVYGISYFENML-LJQANCHMSA-N 539.496 4.697 10 40 KJCB biogenic COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c([N+](=O)[O-])c1 223542282 FBYLQFHNACCWLZ-FTJBHMTQSA-N 514.611 4.974 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 408771142 CWUOBGSEZAYUMQ-DEDYPNTBSA-N 554.340 4.545 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408806185 MDUHAHWACNARBG-RGVLZGJSSA-N 521.913 4.811 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C 408812510 OZNXQIVBSMOUKY-LICLKQGHSA-N 548.377 4.760 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)c1 408967848 SJWWQPGQZJIRNU-LFVJCYFKSA-N 517.607 4.501 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1 409066345 AFFKXGBAKGVUFT-LDADJPATSA-N 512.349 4.854 10 40 KJCB O=C(Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21)Nc1ccc(F)cc1 409253253 ZHOHKVFUSQZYRD-DEDYPNTBSA-N 532.984 4.904 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409387839 RXPCTBVKZLAQDP-PDGQHHTCSA-N 584.810 4.795 10 40 KJCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Oc2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2)cc1 2190244 MLYFPHZBLPUJRV-UHFFFAOYSA-N 528.473 4.791 10 40 KJCB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 6089840 HHKGFOZXCVJIKT-UUWRZZSWSA-N 604.711 4.758 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 12447827 AYHVSSZPZHBECD-OEAKJJBVSA-N 503.580 4.864 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(Br)o2)C1=O 103842948 BEYLBJGITWWJCX-BJMVGYQFSA-N 532.970 4.542 10 40 KJCB COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 103922863 ZAEIIKRUXMXMMP-XYGWBWBKSA-N 546.536 4.544 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(F)c(Cl)c1)[C@@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O 169617002 NUNQACXOXMZKRD-NJDAHSKKSA-N 554.755 4.937 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)c2=O)=N1 409050343 UVAUKJYKOWADLC-OXWVMCNISA-N 525.674 4.768 10 40 KJCB COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)c3ccccc23)c1C 409127828 RRSWZUORAPWQCH-MTJSOVHGSA-N 512.429 4.583 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2cc(Br)ccc21)NCc1ccco1 409135094 PSOHAHPWALVTMR-JOUMHXNHSA-N 560.495 4.693 10 40 KJCB Cc1nn(-c2cc(S(=O)(=O)O)ccc2Cl)c(O)c1/N=N/c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)cc2)cc1 4887217 GOCOTPIVSWZTKC-CYYJNZCTSA-N 592.011 4.701 10 40 KJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)c(/N=N\c3ccc(/C=C\c4nc5ccccc5[nH]4)cc3)c2c1 95100225 XRPGAYSKLWNGNM-YCFBCHQVSA-N 630.638 4.748 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Br)cc3)C2=O)cc1Cl 100956926 HDGMTWYOWCTZRU-MOSHPQCFSA-N 528.790 4.958 10 40 KJCB CC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408533166 JNDGXDWXOHVUDC-AUWJEWJLSA-N 587.018 4.566 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1F 408692024 BPULYAQVUWHEOY-WOJGMQOQSA-N 531.378 4.970 10 40 KJCB COc1ccc(C2=C/C(=C/c3cc(Br)cc(I)c3OC(C)=O)C(=O)O2)cc1 408743901 VXHRHUOYKJOBMZ-AUWJEWJLSA-N 541.135 4.969 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC 408760771 FUFNYMHOCORVAC-OQLLNIDSSA-N 552.219 4.984 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408815587 RWUBROFLOJQFOJ-CIAFOILYSA-N 671.400 4.630 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409256717 PCCCYXHNMGFNGV-MOSHPQCFSA-N 547.995 4.958 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409256960 NABHXXJRTFQCNA-AYBNGVQBSA-N 512.653 4.710 10 40 KJCB CCOc1c(I)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 409338434 JTHQZXNEMADAPW-MHWRWJLKSA-N 574.849 4.898 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1cccc(C(=O)O)c1 409408424 QMSDSYBKTLKMPG-NDENLUEZSA-N 537.366 4.586 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1 3367605 WBLRQZFRABPKCC-UHFFFAOYSA-N 557.535 4.923 10 40 KJCB O=C(CCCN1C(=O)[C@@H](CCCCNC(=O)c2ccccc2)SC1=S)Nc1ccc(Cl)cc1 32594788 LQUXQBNJCPLDTE-HXUWFJFHSA-N 504.077 4.888 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 97947729 QOIPSIJGALPDHN-QJOMJCCJSA-N 551.713 4.716 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)c(Br)c1OC 100321273 IEIXLJOVDWLBIS-RIYZIHGNSA-N 524.165 4.733 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 223184981 CVKPBGNCGIAXSP-CLJLJLNGSA-N 554.558 4.946 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408880782 HHQYEWISZCGESW-JCMHNJIXSA-N 515.522 4.801 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 409048205 RHYTZPSVCNYMDR-UDWIEESQSA-N 650.301 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409079373 JNDHXTRLWOKZRY-CXUHLZMHSA-N 583.307 4.733 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1OC 409257418 QUHJGKXPOGGCHF-IWIPYMOSSA-N 587.629 4.793 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Cl 409261119 BIYSNWNHVFAZEE-PDGQHHTCSA-N 555.330 4.586 10 40 KJCB O=C(NN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S)c1ccc(Cl)cc1 409349036 UQAJWOZQIAQZIU-WQRHYEAKSA-N 512.956 4.982 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC 409381893 KJGXABFSGXNCSH-UYRXBGFRSA-N 610.486 4.705 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3F)C2=O)cc1OCC 409386532 MFCDBSVRDSQTJQ-LTGZKZEYSA-N 561.566 4.697 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OC 408723664 ZFQCZJCEHYCJCO-WUXMJOGZSA-N 530.227 4.995 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1Cc1cccc(F)c1 408877510 WMRKJOYBVBBXKW-SRZZPIQSSA-N 615.355 4.994 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(C)cc1 408953269 PMCOQEPWHVKYRJ-DJKKODMXSA-N 565.376 4.740 10 40 KJCB O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 409075875 YVEYMBHRGFOMSU-DIBXZPPDSA-N 554.580 4.700 10 40 KJCB COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCOCC1 409238647 KSBAACYRMUBDIV-AKGOGDBKSA-N 577.522 4.658 10 40 KJCB CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCCOC)C3=O)cc2OCC)cc1 409254347 XAJIYRKEQDPGEH-KQWNVCNZSA-N 530.668 4.739 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409257068 NTPWHFLTILJUQU-BOPFTXTBSA-N 540.359 4.686 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 409386633 QUTZUMWWBKUKAV-SFQUDFHCSA-N 507.543 4.538 10 40 KJCB O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 661201 GWZQWSYWNMUSJX-UUYOSTAYSA-N 532.984 4.904 10 40 KJCB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 3327807 NPAOYPZRGXOCBU-UHFFFAOYSA-N 544.347 4.721 10 40 KJCB CC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)[C@@H]1/N=N/c1ccc(O)cc1Cl 102151662 PLKOXQZTBOJFDP-JOWZZTKRSA-N 500.920 4.960 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 223466616 DMHDDZOILZOJOY-IZZNHLLZSA-N 514.611 4.974 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)cc1 225116794 FDEWBZCSBIIURJ-SANMLTNESA-N 528.074 4.767 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OC(C)C)c(OCC)c3)C2=O)cc1 408815606 SUBKNRLFZBPKND-WOJGMQOQSA-N 517.376 4.700 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Br)cc4)C3=O)c2C)c1 408968459 ZAKPNXWALIVPBI-UCQKPKSFSA-N 565.424 4.565 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl 409256377 OMFCEWLUTMQHMW-AQTBWJFISA-N 510.333 4.677 10 40 KJCB Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 2421687 AYOOLGGATLQIOB-JLPGSUDCSA-N 524.671 4.967 10 40 KJCB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C3=NN=C(Nc4ccc(OC)cc4)SC3)c2C)c1 14361407 WNHSJUMCIKPRFS-UHFFFAOYSA-N 506.584 4.595 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1OC 59861271 KVSWJIRLICTSIK-OQLLNIDSSA-N 520.323 4.822 10 40 KJCB CCOC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 100873582 VEVFSWCSRVJBSM-HOFKKMOUSA-N 561.466 4.816 10 40 KJCB in-vitro COc1ccc(/C=C2/SC(N3CCN(C(=O)CCCN4C(=O)/C(=C\c5cccs5)SC4=S)CC3)=NC2=O)cc1OC 150443543 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CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)C1=O 408527611 GBUKLDZHEQMPKI-JJIBRWJFSA-N 512.610 4.526 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408536161 QAMSRCVPUSVQTR-DEDYPNTBSA-N 535.350 4.652 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408875213 HJFIYJPJXMNNBO-SJXDCSIJSA-N 629.735 4.701 10 40 KJCB O=C1C(=Cc2ccc(O)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408904482 KFBFCTZZPZNGDF-UHFFFAOYSA-N 526.355 4.745 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 101130311 NUNQACXOXMZKRD-PWRODBHTSA-N 554.755 4.937 10 40 KJCB Cc1cc(Br)c(C)c([N+](=O)[O-])c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408530399 LQWAVSTWSWNUIW-MDWZMJQESA-N 566.206 4.932 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c3)C2=O)cc1 408534962 NCYYWNGWKJQYDE-YBFXNURJSA-N 541.343 4.896 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)NC1=S 408786761 NGJPLRIUDAHWHN-WOJGMQOQSA-N 539.367 4.684 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1cccc(OC)c1 408992777 BVCGCMWUNGYKKD-CBPRFPNYSA-N 597.737 4.799 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409067932 DVLLGUFUFCUULH-LDADJPATSA-N 561.797 4.537 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S 409265643 NDLPKLNNWAVDRH-UNOMPAQXSA-N 510.559 4.961 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F 409380405 MKMMAAVMAOIBMW-YVLHZVERSA-N 602.800 4.934 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409391155 HSJMUNLPHXZEDR-OEAKJJBVSA-N 568.502 4.764 10 40 KJCB COc1ccccc1CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1565524901 WRYPFXZOXCZAAP-SSEXGKCCSA-N 508.622 4.546 10 40 KJCB Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 100871307 LFTVWIAERHPYAP-KQWNVCNZSA-N 549.697 4.612 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1I 101145660 XIGIYRWVROLPPH-PCCBWWKXSA-N 583.765 4.640 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)C1=O 408536466 RNJDHCNFKJGJRW-RGEXLXHISA-N 535.350 4.652 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 408767111 IWOXBFBEAKXZIT-LDADJPATSA-N 511.317 4.937 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408768666 ZWELEQJISPOBCT-USHMODERSA-N 540.616 4.936 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC(C)C 408804365 DYYSXCFLDPTGGB-LZYBPNLTSA-N 507.768 4.955 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Cc1ccccc1F 408872828 JLHORHQAVUIDQS-RGVLZGJSSA-N 586.357 4.792 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OCC)c3)C2=O)cc1 408901775 ZYJRLHXXJQWDSF-PDGQHHTCSA-N 517.376 4.702 10 40 KJCB COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C)c5)c4C)c(=O)n32)c1 409024775 WLUSELQDDYLWGI-USDTVRPUSA-N 555.700 4.911 10 40 KJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4C(=O)OC)c3C)C2=O)cc1 409107662 SJHMDJWJRDISMJ-BUVRLJJBSA-N 533.606 4.954 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409265999 XJYMQXUUFAXLPI-WSVATBPTSA-N 541.434 4.695 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OCC(=O)O 409328426 VAJXRUBLLPZWER-FRKPEAEDSA-N 514.806 4.980 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 103849801 BHTBSGRCNFBRSL-VXLYETTFSA-N 525.876 4.641 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225370024 UFLAWZAKIVKZDL-PKTZIBPZSA-N 527.731 4.916 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cccs1 409055282 DPABKZHEFUSZPU-SBICLSTASA-N 541.698 4.597 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1Cl 409373390 RBFJPCNCZKCLSJ-RQZCQDPDSA-N 501.322 4.836 10 40 KJCB O=C1/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 97947234 CMIIZXYBYKOIOW-MOHJPFBDSA-N 557.676 4.562 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c3ccc(C)cc32)S1 100112444 UGTSZGBHVOWGLY-OAHLLOKOSA-N 622.746 4.881 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 103852112 LBPNKZIOCDHAHE-LICLKQGHSA-N 586.395 4.915 10 40 KJCB Cc1cc(NC(=O)CCCCCN2C(=O)/C(=C3\SC(=S)N(CCCCCC(=O)Nc4cc(C)on4)C3=O)SC2=S)no1 150470135 SVOJRGGRORDSAL-QURGRASLSA-N 650.830 4.910 10 40 KJCB O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3ccc(/C=C\c4nc5ccccc5[nH]4)cc3)c2c1 245241143 XRPGAYSKLWNGNM-YFTMQRDWSA-N 630.638 4.748 10 40 KJCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408532059 HYZWSPKERFPCAQ-UNOMPAQXSA-N 662.190 4.848 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1 408694470 ICMFUARLDGCGKP-XDHOZWIPSA-N 560.388 4.673 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C 408753594 GRRIEULCBLSRSR-DEDYPNTBSA-N 536.382 4.618 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 408948752 GHLLMMATPNSDRX-DJKKODMXSA-N 609.385 4.520 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c(OC)c3)C2=O)cc1 408984893 UDBUPXLBSYAQQR-JMIUGGIZSA-N 534.952 4.885 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 409375936 RDBGKWWENUGJFA-XKZIYDEJSA-N 578.419 4.758 10 40 KJCB COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 2398209 YXNPYBHWIQOTQM-CLKZTBQTSA-N 513.579 4.606 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(I)c1 103849688 FMVJCFSVFIXABK-YBFXNURJSA-N 560.294 4.815 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 408774905 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COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 103852040 WBWYRZGIAHEYHG-LZYBPNLTSA-N 540.956 4.627 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(I)cc1 112245217 WEYHGKQGGBQVLH-DEDYPNTBSA-N 568.367 4.854 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1NS(C)(=O)=O 225481864 AXSVPGZGFISJGI-KAYWLYCHSA-N 591.715 4.745 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(O)c(I)c2)C(=O)NC1=S 408740474 GGGPWYPVXJWWIB-VZUCSPMQSA-N 622.076 4.662 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408835891 YOQIOSYEOFMTPQ-YBFXNURJSA-N 581.965 4.910 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3F)C2=O)cc1 408897277 REMMXVIUESPFJZ-DEDYPNTBSA-N 553.340 4.620 10 40 KJCB COCCCNC(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2cc(Br)ccc21 409137635 XLTPWMAQSBEPTQ-MTJSOVHGSA-N 544.496 4.962 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409254860 JFUGKXRZQJNOQT-UUYOSTAYSA-N 547.995 4.958 10 40 KJCB C[C@H](Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O)c1ccccc1 100763673 LMXKMECRWGGCFR-PGECNJAHSA-N 542.642 4.998 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 101027021 NOMXMCMMWIFTBQ-GQBVICOWSA-N 528.659 4.550 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)ccc1Br 408764871 TZHGTPWOMCCRCR-RGVLZGJSSA-N 523.343 4.740 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1OCC 408804864 BVZHKFLHCBRCIW-GZTJUZNOSA-N 501.377 4.920 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409102667 VTVPMWQPPJRNLP-MRWVFDTMSA-N 598.769 4.837 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1C 409263378 KNGOPTKCNCLDRU-HMAPJEAMSA-N 503.942 4.641 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 409267880 PMKGKAIQSRFKDJ-XDHOZWIPSA-N 552.356 4.581 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 13646635 RABMGZANKJBSTK-IOMXWXPKSA-N 504.681 4.887 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccccc3)CC2)cc1 59646499 WIYUAHUKQLRMIB-UHFFFAOYSA-N 534.465 4.546 10 40 KJCB COC(=O)C[C@H](c1cccc2ccccc12)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96114214 PMPOMNVFLDXZIF-GOSISDBHSA-N 514.486 4.836 10 40 KJCB biogenic CCc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100912984 IDGKTPAFWVYTSK-VABKMULXSA-N 530.374 4.707 10 40 KJCB CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 101006130 QCFVBHRNELYFFM-JCMHNJIXSA-N 526.636 4.992 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 105301465 VUBYFKBTSGCYHA-IZHNJCROSA-N 520.680 4.579 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408880457 KBFTUBWUNBSFNJ-DEDYPNTBSA-N 531.373 4.736 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408897204 IEMAASKRQUCEBF-MTJSOVHGSA-N 566.364 4.920 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 408903139 PVVBSIIBNWKKCA-RGVLZGJSSA-N 600.372 4.810 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409014001 OKILIZYVWWTKJK-LDADJPATSA-N 515.161 4.669 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409076805 BHSZBOZRXIMMLE-LZYBPNLTSA-N 628.304 4.641 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409252306 RQOVSQWPTLZZQQ-LDADJPATSA-N 584.810 4.795 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Br)c3)C2=O)cc1 409253583 XEJXUXUSZIOYGK-JAIQZWGSSA-N 626.847 4.881 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4C)c(Cl)c3)C2=O)cc1 409262645 JHNFNTPMNPZGAU-FYJGNVAPSA-N 533.968 4.649 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)cc2)cc1 409268411 SWLAETPRLLZNGU-CFRMEGHHSA-N 534.615 4.843 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)OC 409330269 KIMCTSGGPNNWSC-WOJGMQOQSA-N 538.441 4.814 10 40 KJCB COc1cc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)ccc1-n1cnnn1 100332841 QFWTXBBWSSOFAO-XIFFEERXSA-N 606.731 4.984 10 40 KJCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 100525236 ISEVYNJOIAPBEP-DUPNKOKHSA-N 520.390 4.694 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 408555471 XQHVCFMOPMHXNE-WQRHYEAKSA-N 555.330 4.586 10 40 KJCB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCC5)cc4C)c(=O)n32)c1 409059502 RRDCKSQEADLNEJ-RMNLPTLGSA-N 564.711 4.791 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409107782 TUCKQFTXYBWBDX-RGFRMHDHSA-N 603.144 4.863 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)c(OC)c1 409229354 NVBGDZOUEKJJID-GZTJUZNOSA-N 511.328 4.701 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3)C2=O)cc1OC 409269996 NIPPUEXVSRPRTB-JCMHNJIXSA-N 608.445 4.930 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)c(Br)c(Br)c1O 409382523 OIQCOXQXUITOJZ-NTEUORMPSA-N 554.260 4.710 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1ccc(C)cc1 13893333 MRGBTXCUHIROKZ-ULJHMMPZSA-N 500.551 4.826 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 113833058 UTMSDBFFDDDFCV-UDWIEESQSA-N 573.586 4.685 10 40 KJCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223188511 ACGMIWKFIRJZFC-IZLXSDGUSA-N 503.716 4.801 10 40 KJCB COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1 408870303 UHYFMXBWCHYSQZ-LPYMAVHISA-N 554.340 4.545 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OC)c(OCC)c3)C2=O)cc1 408896625 GQUOBCLRHKNNLP-PDGQHHTCSA-N 564.376 4.544 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 408982994 JKXBOYPDLIAEMY-MTJSOVHGSA-N 626.403 4.806 10 40 KJCB CC(C)COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409045032 XQXFVJCNWDTYRF-LZYBPNLTSA-N 538.192 4.618 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC(C)C 409126227 HBFQINHQEBLARS-CXUHLZMHSA-N 503.418 4.693 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)c(Br)c1O 409240606 UPXVLMFLLJNNJX-JXMROGBWSA-N 560.651 4.801 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1 409247704 ASSYYUQDCKXLTA-STZFKDTASA-N 520.010 4.806 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC 409269029 DCMVDDIQGQPUJG-KQWNVCNZSA-N 557.603 4.785 10 40 KJCB COc1c(I)cc(I)cc1/C=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 8456355 UZXJFOBXGBLWFP-VZUCSPMQSA-N 614.992 4.673 10 40 KJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1C 100790223 YWTQXKAJPXAGCV-KUOTXRDYSA-N 539.704 4.635 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 408948264 FFFDFPNUPSAWOW-GIJQJNRQSA-N 602.768 4.919 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(N(CC)CC)cc3O)c2=O)=N1 409033184 NJYPGIWKHCSGDM-FQKMCRJQSA-N 628.589 4.901 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c2=O)=N1 409035279 JLYUSQDMOROOAH-MKWGYRPRSA-N 532.065 4.859 10 40 KJCB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1 409101864 BUAPFIWKHNNGSO-XKZIYDEJSA-N 507.388 4.696 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 409109126 YDMQRGDOSJZRMB-YRNVUSSQSA-N 514.159 4.830 10 40 KJCB CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409203986 ATVRQFQPJDZZHV-MFKUBSTISA-N 543.580 4.551 10 40 KJCB CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC 409384679 DOUNUWBGGKWSKE-WIJRQFRKSA-N 507.768 4.955 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cccc(OC)c3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852486 IDLOAVSAPRQCHT-QHCPKHFHSA-N 517.611 4.685 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 101113778 KWYITRHGYBEVOM-BHDDXSALSA-N 506.341 4.684 10 40 KJCB O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102922813 JZNCAXAXMOYQCD-NTCAYCPXSA-N 554.562 4.905 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 169617128 NDKOWKXNCQBBAV-NJDAHSKKSA-N 510.304 4.828 10 40 KJCB C[C@H](NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(N2CCC[C@@H](C)C2)cc1 224336542 KTDVWHSKIPWFJL-CVEARBPZSA-N 520.080 4.720 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1)Nc1ccc(Cl)c(Cl)c1 408554681 SRLJUNUOFNVFHY-GRSHGNNSSA-N 555.330 4.586 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408844442 IZKATHDRCJUVIL-QGMBQPNBSA-N 541.343 4.976 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1ccccc1F 408877776 UKSWMPIPHZJCST-VXLYETTFSA-N 525.330 4.560 10 40 KJCB CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408900735 UHIHPNWUOYTSIM-UQQQWYQISA-N 564.616 4.617 10 40 KJCB COc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1I 408901340 DHXVPWLVTGVJOL-RIYZIHGNSA-N 544.130 4.711 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 409043365 QKCKFYWUWSOIAW-UHFFFAOYSA-N 551.349 4.505 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409083007 ULYREEJGDGFQKE-WOJGMQOQSA-N 611.317 4.511 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OC 409224004 HAFCCFUCUJEPSP-VGOFMYFVSA-N 509.809 4.650 10 40 KJCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 409252072 RYORKZTZIJVFBA-DEDYPNTBSA-N 503.942 4.641 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl 409274972 RPPDUOCOBGNNID-RGVLZGJSSA-N 512.927 4.982 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(C)cc1 409401410 YHKXOEKDWDUJCB-UNOMPAQXSA-N 570.827 4.898 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)c(C)c1 980557 QQKYLURKFVIYKV-FYJGNVAPSA-N 552.450 4.783 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 408544993 WRAGTFLISZGALY-OEAKJJBVSA-N 513.937 4.796 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3/sc4n(c3=O)[C@H](c3ccc(OC)cc3)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C 409015453 ATQVYNGUNFECTD-ITNPZBTBSA-N 613.736 4.698 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC)c(OCC)c3)C2=O)cc1OCC 409187627 ADROFXJYIXOLJO-XDHOZWIPSA-N 622.456 4.938 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1OCC 409387024 NCEFMFMEGKWLIF-CJLVFECKSA-N 603.628 4.575 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1ccccc1Cl 36612765 NWQLRELFUUZZPF-UDWIEESQSA-N 519.941 4.870 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 100517601 WRKVOYLBJLJCQZ-VSKRKVRLSA-N 550.792 4.793 10 40 KJCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 101256268 AQHITIXGWXQFER-XCAKCUFHSA-N 533.997 4.869 10 40 KJCB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 223159740 QMDPMQBAJZEPRB-UHFFFAOYSA-N 512.503 4.698 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)ccc1OC 225296877 OQAHMVNXXKOPEK-URLMMPGGSA-N 585.686 4.958 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)ccc1OC 408825015 ITHIYNMDQDQNQA-HYARGMPZSA-N 506.942 4.993 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1 409040537 GKSHSSXEJWRUHE-LPYMAVHISA-N 503.942 4.641 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 409043899 AAKTXAKHRFXDOL-YBFXNURJSA-N 549.363 4.875 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 409217908 FRUAOVQSFOQOTO-UDWIEESQSA-N 528.323 4.816 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 409370956 AHZFSZVWPIYACY-GIJQJNRQSA-N 592.773 4.787 10 40 KJCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1 8769417 OBWUCTPVFYPNSV-AUWJEWJLSA-N 507.724 4.635 10 40 KJCB CCOC(=O)[C@H]1[C@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9293467 XQRMMMHCZYYYPB-GMQQYTKMSA-N 509.558 4.700 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1cccc(F)c1 408934409 ALMNKBJTDHWOJI-VXLYETTFSA-N 617.327 4.593 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 408981596 IIIOHACABLWLJF-CRCYZHLCSA-N 562.091 4.868 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409052369 DAXILGIHFVITQR-CRCYZHLCSA-N 626.573 4.568 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1 409069096 CAKAIKWQNWVBCL-WOJGMQOQSA-N 579.787 4.676 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)N3CCC(C)CC3)c12 409148755 RGGQMDGBJVFQAW-VLDJDNEVSA-N 511.713 4.842 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)C2=O)cc1OC 409254554 XQLDIHRADNRKJF-JLPGSUDCSA-N 557.603 4.785 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 409326901 GGEAVQAPGJAFTQ-MOSHPQCFSA-N 509.634 4.620 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1 409334438 XUKOSHPDTHDEIZ-CPNJWEJPSA-N 535.407 4.812 10 40 KJCB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O 2163791 ATQPVNMQEHXKSS-WUXMJOGZSA-N 530.600 4.739 10 40 KJCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9460917 JKRRAXODXHREMR-JCMHNJIXSA-N 505.512 4.556 10 40 KJCB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 13672939 KRJWMZQACQTDTD-UHFFFAOYSA-N 528.074 4.851 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 100414912 LNDUMNMWNDUWSG-BHIFYINESA-N 506.341 4.997 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 100941604 ICCWAKTUEASIHF-QPJBPQEWSA-N 562.091 4.868 10 40 KJCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)c(Br)cc2[N+](=O)[O-])C1=O 408534157 VCHYGTCABRRINU-UKTHLTGXSA-N 552.179 4.569 10 40 KJCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 408732542 WPCNHJHDXPMFKC-DEDRDRDXSA-N 597.737 4.951 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 408853309 NIIQMTFHPGYLCD-VXLYETTFSA-N 583.366 4.961 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 408901767 BXHKQFUOUFJPDK-RGVLZGJSSA-N 583.366 4.931 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(I)c1O 408934517 DWRLPQUEXFKWBL-VXLYETTFSA-N 604.784 4.904 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)c(Cl)c1 409149304 BBUWZTIGDZUOJS-NVNXTCNLSA-N 530.796 4.505 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 409253817 GXKNQBVHXUWUGX-STZFKDTASA-N 520.010 4.806 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1 409379865 AIQXJMKRYYYPDP-KGENOOAVSA-N 594.020 4.830 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8429906 OWUAFJFQHOLEBI-OCEWKHMESA-N 548.064 4.778 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 26503319 NBLHKKQCHWZDEW-ISEZKPLKSA-N 506.653 4.556 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc([N+](=O)[O-])cc1 59135807 BRXSAJDUIIAWCP-LDADJPATSA-N 507.499 4.993 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 164401800 KGMCOXIADQACRL-LICLKQGHSA-N 633.395 4.757 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408761841 BTILDWJKXRNGLT-LRUGRNCASA-N 648.579 4.781 10 40 KJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408774472 VXFXBGLEZHJAKA-QJOMJCCJSA-N 504.583 4.718 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OCC 408786383 IZOAOGMSCUWSKC-RIYZIHGNSA-N 567.820 4.974 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408805482 KOUPWJNWAYUBQI-BUVRLJJBSA-N 509.474 4.699 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 409162482 VSPNHEPTDCXMLQ-UKWGHVSLSA-N 609.564 4.848 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409246435 IIQBDKBOGDNNSQ-YVLHZVERSA-N 554.431 4.505 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1cccc(C(=O)O)c1 409399519 JGLKCDSHJTYICJ-ODLFYWEKSA-N 527.758 4.841 10 40 KJCB COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccc(OC)cc2)cc1 4016690 URPYRSNVDWGRAB-ZRRKCSAHSA-N 555.591 4.529 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(=O)NC1=S 9263211 JQSCAQKLWAYXRY-UNOMPAQXSA-N 507.999 4.894 10 40 KJCB CCN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 102416278 AVDVIBJFKZXFOM-HXUWFJFHSA-N 538.625 4.642 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)ccc1NS(C)(=O)=O 225431819 SRTOLVLUBUNGPJ-RRPNLBNLSA-N 562.721 4.750 10 40 KJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408529943 IHCGWXOINYMCEP-CLCOLTQESA-N 614.548 4.993 10 40 KJCB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408534359 QPJJOVPIVICHHR-CYVLTUHYSA-N 537.462 4.657 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408894258 BVNLLGQIIFXVQR-YBFXNURJSA-N 631.810 4.637 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Br)cc1F 408909216 FRYMJOWUTGKIAZ-GIJQJNRQSA-N 500.299 4.801 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OS(=O)(=O)c2ccccc2)c(Br)c1 409070094 DKLUHXBLEKKLCR-GZTJUZNOSA-N 606.248 4.646 10 40 KJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O 409235075 YMQBPCMZFAJUTQ-LPYMAVHISA-N 537.414 4.705 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(C)n1-c1ccccc1 409144595 KYVGQYGVAOJBKQ-KOEQRZSOSA-N 516.623 4.606 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c(Cl)c1 409205217 GLZHQEYHZYHLIU-NVNXTCNLSA-N 512.794 4.865 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409224352 JDBPKFZWUBUPBR-CIAFOILYSA-N 524.360 4.986 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409272832 SRPBECHFHCKBDG-SYERDGIWSA-N 519.044 4.746 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 409382197 LYNJECNXYDQKPL-STZFKDTASA-N 563.994 4.740 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409391893 KEQXYQFVZCFKOX-WGOQTCKBSA-N 510.525 4.874 10 40 KJCB COc1ccc2c3c(n(CCC(=O)N4CCCC[C@H]4c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O 604404758 JZCAESNMZHLVRL-QHCPKHFHSA-N 523.589 4.769 10 40 KJCB biogenic O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@@H](c1cccc(F)c1)OC21C(=O)c2ccccc2C1=O 169618112 PGSHGPYRJVJDQT-NJDAHSKKSA-N 509.411 4.540 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)ccc1OC 225296844 OQAHMVNXXKOPEK-WDYNHAJCSA-N 585.686 4.958 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408768656 ZTHRWIHVANXRMY-ONUIUJJFSA-N 528.561 4.599 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)c1 409041896 KQCHEGNWYJHLAZ-LPYMAVHISA-N 503.942 4.641 10 40 KJCB CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 409146661 RXKIITJBKYKBJK-AWQFTUOYSA-N 579.538 4.840 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCC(=O)OC 409338536 LQWXJJPEZJUICS-GZTJUZNOSA-N 514.463 4.934 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1 409379525 XDOIZPFQAMRYRW-CPNJWEJPSA-N 582.382 4.671 10 40 KJCB Cc1c(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 1247365 TXUGTSLIXSTQDW-HKWRFOASSA-N 527.071 4.758 10 40 KJCB CCN1/C(=c2/s/c(=C3/C(=O)N(c4ccccc4)N=C3C)n(C3CCCCC3)c2=O)Sc2ccccc21 97610497 ZXYQJMOPOKLUFC-YFMKTMAWSA-N 516.692 4.686 10 40 KJCB Cc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)c1 102761447 RSBICWALSIEUJM-SMIDNAKXSA-N 540.649 4.660 10 40 KJCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C(=O)OC)c4)c4ccccc34)C2=O)c1 408541493 GMHUGYGEFWUOMK-MFKUBSTISA-N 523.545 4.541 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)c(Cl)c1 408554223 QVFMLJSLLHOOPA-WOJGMQOQSA-N 528.323 4.816 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 408772051 JWJAXDZJRXOJOB-ONUIUJJFSA-N 512.562 4.898 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O 408775401 HAYNACQSURKNNZ-LFVJCYFKSA-N 563.452 4.668 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408807828 HWOAHAXTUCBTBI-OEAKJJBVSA-N 515.522 4.856 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 408846340 ITSWTWXDJANVFC-GIJQJNRQSA-N 539.313 4.562 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(I)cc4)o3)C2=O)cc1C 408851277 XCZLHLXMFZNDOQ-XDHOZWIPSA-N 512.303 4.834 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)c(=O)n32)cc1OCC 408932645 DEBRIXBIEVWSIQ-HJRUQSCCSA-N 585.726 4.840 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409071020 ZXJQBAVJFZKZLB-WOJGMQOQSA-N 636.274 4.654 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1)Nc1ccc(Cl)cc1 409227791 WWMCVKKADJZVBX-MTJSOVHGSA-N 510.333 4.677 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 409267406 UNVSPICIHCVQAU-LDADJPATSA-N 584.810 4.795 10 40 KJCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 10113120 RANRCUVRLUKPGA-UHFFFAOYSA-N 528.074 4.851 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 41078385 ISEHXXHSRDWBQE-KSAQVDHBSA-N 502.346 4.579 10 40 KJCB O=C1C[C@H](c2ccc(-c3ccccc3C(=O)O)o2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108450363 DQZSTLRLDDTQOH-OAHLLOKOSA-N 542.452 4.682 10 40 KJCB biogenic CCCCN(CCCC)S(=O)(=O)c1ccc(N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C(=O)NC2CCCC2)c2ccc(O)c(O)c2)cc1 150387002 FYRMOXHGKALITM-UMSFTDKQSA-N 740.901 4.667 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)NC1=S 408743104 UPZJLHBBKKQIHX-SDQBBNPISA-N 530.625 4.710 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408886329 GGFICHWYMPMBBX-VXLYETTFSA-N 540.301 4.742 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12 408902862 MLODXUAVYYQDOK-BUVRLJJBSA-N 510.477 4.923 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc(I)c1O 408942303 YYPBRBDHSUFTEP-VCHYOVAHSA-N 604.784 4.904 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1 408980155 DXCAGPHGROMUHQ-CRCYZHLCSA-N 529.662 4.724 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409066741 NVODIHPBJMBIHL-XDHOZWIPSA-N 579.787 4.676 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409254113 DCAOAQNJNPZZDZ-NDENLUEZSA-N 641.487 4.765 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1cccc(C)c1 13896119 QLPRGMNXCOGLPT-ULJHMMPZSA-N 516.550 4.527 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC 105497294 ALFKPNLZMQAYMW-BRSLHEPESA-N 584.654 4.937 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408869750 TZSPNVNTSCZAPY-LPYMAVHISA-N 536.943 4.922 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1 409047140 MXKZHNNQDNUCRQ-UDWIEESQSA-N 554.784 4.786 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409262988 GNCZTTIUVBCNGA-NDENLUEZSA-N 536.009 4.506 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100701570 YMISMCWMCYCCEI-ACRUOGEOSA-N 536.765 4.798 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408741259 LAVLDMGZMSKXOG-UDWIEESQSA-N 523.954 4.667 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1 408871653 ZLJGWVXJFYLCRX-HYARGMPZSA-N 518.953 4.783 10 40 KJCB COCCN1C(=O)/C(=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C 408876344 NZBMZEWIVRORRG-WPWMEQJKSA-N 599.105 4.952 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1cccc(OC)c1 408992778 BVCGCMWUNGYKKD-ZRYJBNJPSA-N 597.737 4.799 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O)Nc1ccccc1 409045105 FCYXRWDAUVULPX-ZXVVBBHZSA-N 547.567 4.950 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409255421 KGXBVGBKZJMQHW-HYARGMPZSA-N 578.419 4.758 10 40 KJCB COc1ccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2OC)cc1 409379736 YVGBDJQTHMXWHS-UUYOSTAYSA-N 608.445 4.767 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OC 409381472 UMVZGDFLMHVVRN-QNGOZBTKSA-N 638.471 4.939 10 40 KJCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)c1 9086449 DPLVDEWFRIFGNN-NCELDCMTSA-N 519.648 4.555 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 9310902 QITRBMLCFHYLHH-WQRHYEAKSA-N 510.300 4.901 10 40 KJCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccc(C)cc2)cc1 10113158 LTIPQFVATPWNIG-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 408773951 UOADGELESYCQSS-IGSWSUAKSA-N 629.545 4.872 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408778852 MOGGQGZLYSRIHN-CIAFOILYSA-N 626.403 4.942 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)C2=O)c(OC)cc1Cl 408835875 YQNIEMDBAPISTE-YBFXNURJSA-N 536.968 4.920 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc(I)c1O 409143696 GSALVXSCGANCMQ-QGMBQPNBSA-N 584.501 4.844 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC(C)C 409246473 BSZHGEBGTXKIAC-CXUHLZMHSA-N 503.418 4.693 10 40 KJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1C 41078493 GUBDKGMWXTVMAD-NPHXDMLASA-N 512.360 4.674 10 40 KJCB CCCN1C(=O)/C(=C\c2cc(I)cc(I)c2OC)SC1=S 100360763 OOCKFRJPUOGAHP-IZZDOVSWSA-N 545.205 4.516 10 40 KJCB COc1ccc(NC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)Nc4ccc(OC)cc4)C3=O)SC2=S)cc1 150461887 BILUAWXPEIGPMC-WCWDXBQESA-N 644.822 4.774 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408815685 XWLGQJULJSQHJL-CIAFOILYSA-N 521.913 4.892 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409054233 IHAXHQHZAWVANQ-CRCYZHLCSA-N 626.573 4.568 10 40 KJCB Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@@H]23)cc1 100415211 ABZJBTHHXFRTBH-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB Cc1ccc(COc2c(Br)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc2I)cc1 103856327 VLHARLVUNYOTMO-UHFFFAOYSA-N 585.261 4.540 10 40 KJCB COc1ccc(-c2nnc(N/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)s2)cc1 408526321 AXJSYAZKEKMQPE-LFVJCYFKSA-N 555.660 5.260 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1 408758486 KWBDHWRVHKSMAO-FYJGNVAPSA-N 536.382 4.618 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 408821005 BGRHIUPJHIWJKE-JBDHCHCMSA-N 570.671 4.731 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)sc(C)c1C 409197446 FMXNNINWQZVRIB-UDWIEESQSA-N 507.637 4.699 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1Cl 409223818 IKUYDRNQYZJSFM-UDWIEESQSA-N 524.360 4.986 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cc(C)ccc4C)c(OC)c3)C2=O)cc1 409263713 BSFDXWDTTLHVMK-LPYMAVHISA-N 669.472 4.999 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1cccc(C)c1 409374462 QDKWUGGSDRYNFN-RGVLZGJSSA-N 539.382 4.990 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C(=O)NC2=S)cc1 409384492 CQDQPRBIRNHRES-KGENOOAVSA-N 549.674 4.963 10 40 KJCB Cc1ccc(NC(=O)c2c(-n3c(C)cc(C=C4C(=O)NC(=S)NC4=O)c3C)sc3c2CCCC3)cc1 9311448 DGOMKBIEVDETGD-UHFFFAOYSA-N 518.664 4.509 10 40 KJCB COc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)ccc1OCCCOc1cc(C)ccc1C 17044774 JYSYKFDTEKMOCX-PXLXIMEGSA-N 504.539 4.619 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 97962119 LZWRTJRYLZRNPX-HZHRSRAPSA-N 533.631 4.567 10 40 KJCB O=C1/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 100860235 JSMOGMWXTBHTBQ-PTGBLXJZSA-N 549.697 4.694 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)c1C 225442399 NVOIQIRBJUKVSY-VSGBNLITSA-N 605.742 4.833 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC 408722767 NBYUHFRTTYNXLR-OQLLNIDSSA-N 556.809 4.573 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 408806318 ISBXGLYLOLCOER-CIAFOILYSA-N 598.393 4.949 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(Br)cc1 408940849 VIJJWVROKIWXAE-FYJGNVAPSA-N 565.376 4.791 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409071240 IVBJLLATJSZSKF-XDHOZWIPSA-N 561.399 4.826 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 409081279 NKBVXDIGQXJRDC-WOJGMQOQSA-N 583.307 4.733 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409258335 UMXXFDASMBUSKB-RGEXLXHISA-N 536.009 4.588 10 40 KJCB O=C1[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102673106 YMISMCWMCYCCEI-QHAWAJNXSA-N 536.765 4.798 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br 223141450 CMLORQJUOICXTJ-LOSJGSFVSA-N 540.531 4.556 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1OC 225300853 XTPLCRCHYFKLPF-VMPREFPWSA-N 556.692 4.963 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(=O)O)c1 225396907 HXTJYTQURZOIPP-CLJLJLNGSA-N 561.689 4.736 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408769406 TUJRHXZFQJROMX-XYGWBWBKSA-N 516.525 4.729 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 408813890 YURWQLYAVSJXEH-FYJGNVAPSA-N 525.330 4.842 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br)Nc1ccccc1 408903782 YZIJHOWJZHSHCB-XDHOZWIPSA-N 599.235 4.896 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(OCC)cc4OCC)C3=O)c2C)c1 408964191 BTXSAYLGHFMRPK-LFVJCYFKSA-N 545.592 4.735 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409085950 XPWSQHCYKKJOAR-RQZCQDPDSA-N 572.408 4.989 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409239606 ZNXTVCROOYNMEY-GZTJUZNOSA-N 517.441 4.714 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1C 409257482 POBLFKXGNYVZBP-YDZHTSKRSA-N 517.969 4.949 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409266779 REBWWJHEVLPOMS-LPYMAVHISA-N 669.472 4.999 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4OC)c(Br)c3)C2=O)cc1 409385144 GFBLWELSHJTZPS-XSFVSMFZSA-N 594.418 4.540 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1C 409399388 HSENZSGTPLBFJP-PDGQHHTCSA-N 570.827 4.898 10 40 KJCB CCOC(=O)c1oc2c(CN3CCC[C@H](C)C3)c(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2 9065745 NFAKETGUVHAQGL-KRWDZBQOSA-N 507.583 4.908 10 40 KJCB biogenic COC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I 408855810 FNWSTBYUHYXAPJ-BJMVGYQFSA-N 717.106 4.586 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1cccc(OC)c1 408983559 LMDNOGKVIZGUAP-HRIDGTDGSA-N 555.700 4.831 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(I)c1OC(C)C 409125609 DGEUVEDKNSDWSY-LICLKQGHSA-N 564.445 4.925 10 40 KJCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(CCCCCCN2C(=O)/C(=C3\C(=O)Nc4ccccc43)SC2=S)C1=O 97944332 DSYYGKZYBMLNEM-OLAQIDGISA-N 606.776 4.994 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1NS(C)(=O)=O 225427709 KSXLGLKNZMFOSG-RRPNLBNLSA-N 591.715 4.745 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 408534805 RGVDDCQMHKTCRG-WPWMEQJKSA-N 586.648 4.674 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408889367 DBCPWSLCKJYNSU-UDWIEESQSA-N 646.459 4.659 10 40 KJCB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)NC1=S 408914561 YLCAYOUOADIFJF-WUXMJOGZSA-N 500.201 4.591 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1OCC 409267700 VWEAWOASSQPSHZ-JJIBRWJFSA-N 543.576 4.558 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl 409267770 WHKINPCMUUUYRF-WQRHYEAKSA-N 599.781 4.695 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)cc1 409387211 UUZQGTXXVVSRMJ-KGENOOAVSA-N 517.607 4.961 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCCOc3ccc(C)cc3)C2=O)cc1 13894498 CBYAJYMEXDICCB-XQNSMLJCSA-N 506.942 4.781 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)CNc3ccc(C)cc3)C2=O)c1C 16293202 JDAXNBUMSWQIRA-QFEZKATASA-N 517.607 4.907 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O[C@H](C)CC 97961736 PHKRLDNZBIESHR-SWEABUAFSA-N 540.398 4.662 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(I)cc1 103857228 LTBFXZALVGMIQQ-UHFFFAOYSA-N 615.287 4.630 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 223523729 JCMSWWCCGDAENY-WDYNHAJCSA-N 524.694 4.893 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1 225220379 UXLRIKJYNMMSJY-SVBPBHIXSA-N 526.666 4.955 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1 408825944 KDGGKHZOKLFNQP-PQRKSKNISA-N 552.700 4.565 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409021867 COWHLZGUJFTLNV-UQDCTOEPSA-N 604.128 4.954 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 409062035 MEZPGBKSCVGITE-UHFFFAOYSA-N 548.492 4.542 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)cc(Br)c2OCc2ccccc2)S1 409076613 BCNHOGKDNNJMNE-LZYBPNLTSA-N 510.207 4.897 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409077680 GKVJUOQOWNWIJC-WQRHYEAKSA-N 508.830 4.615 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NCc1ccco1 409146990 UUMZABYKCOFDCN-IWIPYMOSSA-N 501.633 4.995 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 409226639 VNZLCBCGWLHYQX-UDWIEESQSA-N 612.820 4.573 10 40 KJCB O=C(COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1)Nc1ccc(Br)cc1 409264973 MAEUQPAAPMJADY-SCWSXOCZSA-N 533.469 4.847 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 409336477 OERJFLFYXOYRAJ-XIHDXPBISA-N 694.604 4.772 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409365642 VHNKGLAXUZBSBJ-DJKKODMXSA-N 602.800 4.934 10 40 KJCB COc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(OC)ccc2O)c1 668323 GRYKWJMNFZPIDJ-OAQYLSRUSA-N 502.308 4.785 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1Cl 9075927 GRRJOEAXYMNEKP-UYRXBGFRSA-N 500.338 4.549 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cccs1 408987538 QKTOCBWAUNGOCC-XSZPGNIMSA-N 517.676 4.576 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1 409058254 JYQCGNSGKUZUNC-MRIAHPSYSA-N 578.738 4.834 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1 409225628 QHBUSSZXPHVBOF-XKZIYDEJSA-N 503.942 4.641 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccc(F)cc1 409399212 GOTXECJEKPLPLM-WQRHYEAKSA-N 574.790 4.729 10 40 KJCB COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 100747125 WWWTWTCDLRPTDD-REZTVBANSA-N 528.833 4.976 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccc(Cl)cc2Cl)OC32C(=O)c3ccccc3C2=O)cc1 101133307 BADACNGLHQXBIU-YPAWHYETSA-N 506.341 4.997 10 40 KJCB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CC(=O)N5CCOCC5)C4=O)c3C)cc2)cc1 106711315 ZUOYYSCUGAQEOU-ONUIUJJFSA-N 547.633 4.790 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 112246184 IKSGHJMVGGEJQB-YBFXNURJSA-N 566.364 4.920 10 40 KJCB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408534406 LVIXCHDBKAEJMW-ZHZULCJRSA-N 519.351 4.952 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3OS(=O)(=O)c3ccccc3)C2=O)cc1 409064246 CJKVBFZHXDPNDR-XDHOZWIPSA-N 636.274 4.654 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 409251176 OVAFSBFNIWSSGS-KEBDBYFISA-N 675.863 4.954 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1C 409251498 QUQVFPTWRWIHON-YDZHTSKRSA-N 517.969 4.949 10 40 KJCB COc1ccc(C)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 13025130 UASCIPOHQLQJTQ-MUUNZHRXSA-N 517.626 4.880 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 111470462 ACGHGVQZYOQAGF-LMKKRCETSA-N 555.725 4.724 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 198064818 PTAUOPHUMJIBCD-RJGXRXQPSA-N 564.377 4.865 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)c(OC)cc1Cl 408785950 CIAFZYPNJPOGQB-OVCLIPMQSA-N 598.908 4.641 10 40 KJCB Cc1ccccc1NC(=O)COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 409253012 AKJZIHRVZJBPLU-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409259029 YXMCTTRODHCXOU-CVKSISIWSA-N 609.705 4.753 10 40 KJCB CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10113605 QNJUTVLRNNONGM-UHFFFAOYSA-N 521.727 4.837 10 40 KJCB CCCn1c(=O)/c(=C/C=C2/Sc3ccc(Cl)cc3N2CC)s/c1=C1/C(=O)N(c2ccccc2)N=C1C 97944362 NRIQXXJGMHYCDH-FTBUJTPDSA-N 537.110 4.801 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 408903677 WBHLQJBABDJYQF-YBFXNURJSA-N 629.261 4.904 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC 409329821 GZISIPDVFWBITL-WOJGMQOQSA-N 585.441 4.656 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1OC 409375468 LGNBMVUGMJQLDM-DEDYPNTBSA-N 563.994 4.740 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)o1 409392084 KSIGIEXTDKQCHW-LPYMAVHISA-N 513.575 4.517 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 2173946 LUKBGHJLQQTIOG-LMSRTUJASA-N 554.112 4.695 10 40 KJCB CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)Nc3ccccc3OCC)C2=O)SC1=S 150444747 SKTFUELAZIHBHO-WCWDXBQESA-N 644.822 4.774 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1 225215940 QQOJTYUZQIJIBT-NSOVKSMOSA-N 527.650 4.957 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408541597 DKGNEVIFRARYCN-XIEYBQDHSA-N 553.615 4.875 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCCC4)cc3)c2=O)=N1 409058253 JXUKLORQCCFGNP-ZIRCPPMYSA-N 575.731 4.586 10 40 KJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C 409268866 YTPFFKSIYQHWKX-LPYMAVHISA-N 503.942 4.641 10 40 KJCB O=C1/C(=C/c2ccc(OS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)SC(=S)N1c1ccccc1 9404358 WQBSUZQMLRZXLY-HMAPJEAMSA-N 511.602 4.631 10 40 KJCB COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12 96222647 LBAYMXAISOEZSX-QGZVFWFLSA-N 512.470 4.885 10 40 KJCB biogenic O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 103850904 IHEOPTVNWUVKMY-UDWIEESQSA-N 539.313 4.532 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223543357 WFEVNUAUVIKASK-IZZNHLLZSA-N 514.611 4.974 10 40 KJCB Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c1 225400737 JEPPXCPRCZLFNK-IZZNHLLZSA-N 532.695 4.741 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408537760 XCFOAPZCICUOBF-KGENOOAVSA-N 504.926 4.933 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408834802 MABLLKKATCFFFP-NBQDTTAVSA-N 613.736 4.918 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409020224 MUNCAFLAUWVBCJ-ZVHZXABRSA-N 547.995 4.682 10 40 KJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409088137 DOYZERNFWPWXFQ-UHFFFAOYSA-N 506.245 4.627 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409104207 GOBWMCBGVRBBBT-URFJJRPFSA-N 598.769 4.817 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC 409127085 CFVIDLVFJUZJKD-FYJGNVAPSA-N 615.060 4.576 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409237009 UMNQSFMADKCKSG-PXNMLYILSA-N 574.849 4.850 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(C)c(Cl)c4)c(OC)c3)C2=O)cc1 409259231 YEABYDPDHJRDHF-JMIUGGIZSA-N 612.422 4.781 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)cc4C)c(OC)c3)C2=O)cc1 409265425 IGMGHTULLHYFAH-LPYMAVHISA-N 669.472 4.999 10 40 KJCB COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O 409376952 CPKLYAJZARUUBV-XHPQRKPJSA-N 577.593 4.958 10 40 KJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc(C(=O)O)c2)cc1 409398530 BVJBKDPDSDHJPL-PKAZHMFMSA-N 507.546 4.833 10 40 KJCB O=C(COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O)Nc1ccccc1 618254484 CWPVZWILZWWPTP-BNDVRQRFSA-N 518.616 4.601 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(I)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(C)c1 1276558 AOGZLNKAPQFABO-VABKMULXSA-N 577.374 4.603 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 8494802 ZSGGWSXFCMSIET-BPYHLWOZSA-N 518.517 4.951 10 40 KJCB CCOC(=O)[C@@H]1[C@@H](c2cc(OC)ccc2OC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12 16007446 XQRMMMHCZYYYPB-VJGNERBWSA-N 509.558 4.700 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 97964674 RGCHXFIZBHKFQO-OHMBLGONSA-N 535.626 4.777 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]23)cc1 169618099 BDLFQAUUHXLWPF-YPAWHYETSA-N 505.448 4.709 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223543249 WFEVNUAUVIKASK-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB COc1cc(N2N=C(C)/C(=C/NN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)C2=O)ccc1Cl 408529144 IKDYUQICVODNHJ-BOPFTXTBSA-N 539.773 4.672 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408934478 BAQSUEOEFFXQRZ-VXLYETTFSA-N 525.876 4.641 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(C)n(-c5ccc(C)cc5)c4C)c(=O)n32)cc1OCC 408935778 NRKHQYKGXWHXHH-TWIDMGDKSA-N 571.699 4.531 10 40 KJCB 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COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 223502863 REURIPXURXEMRD-IZZNHLLZSA-N 514.611 4.974 10 40 KJCB COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408533598 TVDOUBLPLRPGFP-HKWRFOASSA-N 547.475 4.659 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccccc1 409070358 FNTOVWZBQLZIGK-XDHOZWIPSA-N 605.850 4.935 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409101071 PHDDBTDEPGWQLY-IMUCPKNRSA-N 598.769 4.837 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409171216 YTIPHFQKBLPETA-KKMKTNMSSA-N 647.666 4.862 10 40 KJCB CCOc1c(I)cc(I)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409352669 XVFXLNXCWLXAEQ-NTUHNPAUSA-N 642.303 4.902 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)n1-c1ccc(Cl)c(Cl)c1 3279423 NQQLTOBZYNBIMJ-KRWDZBQOSA-N 543.403 4.951 10 40 KJCB Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 100762041 MFUCFULBZSTMIY-OOAXWGSJSA-N 581.767 4.769 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789696 APQPMNQXOMTKQM-GJFKPFFXSA-N 568.537 4.750 10 40 KJCB O=C1C[C@@H](c2cccc(OCc3ccccn3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108447732 KIMVYGISYFENML-IBGZPJMESA-N 539.496 4.697 10 40 KJCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(I)cc1 408692233 HVVDTKHRTJVYLF-VCHYOVAHSA-N 580.806 4.937 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 408962459 SHWUSKYUIJGDMM-LDADJPATSA-N 562.161 4.511 10 40 KJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409076696 BVEMTVCDCGIQOR-RVDMUPIBSA-N 508.830 4.615 10 40 KJCB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 409160788 IZWPPXPZNYYYCA-RQZCQDPDSA-N 502.821 4.752 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409204907 LVKHMLXLLVPXKQ-BKUYFWCQSA-N 552.590 4.736 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409226780 WWCRXGCAQMNNPA-FYJGNVAPSA-N 612.820 4.573 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C(=O)NC1=S 9311380 YHGHITWCAIJHOP-BOPFTXTBSA-N 511.353 4.547 10 40 KJCB Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225400972 SGKICSZQMDSIQP-DQEYMECFSA-N 532.695 4.741 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)ccc1NS(C)(=O)=O 225427918 KWKSGEWYMFLIPY-KAYWLYCHSA-N 591.715 4.745 10 40 KJCB COc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccco3)C2=O)c1 408537754 XAZZNGHQORBMGU-SXGWCWSVSA-N 590.180 4.699 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 408937500 GREQQZRKJKCFTG-CIAFOILYSA-N 523.998 4.676 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 409002710 PEOXFNAROKNNAR-ASLZUZDJSA-N 540.616 4.824 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCC4)c(C)c3)c2=O)=N1 409057318 JROJSPUQYPVLQF-NTWBUQQASA-N 540.714 4.844 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 409363244 KOVSILAQCZWJLR-CIAFOILYSA-N 551.958 4.870 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409383226 VBNKCYMUYKGDHI-WOJGMQOQSA-N 540.359 4.686 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC 409384083 AANBCYYJBPYAJZ-XDHOZWIPSA-N 612.408 4.679 10 40 KJCB CN1CCOc2ccccc2CCCCC2(CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)C1=O 643588198 BWOUUEMJSWINLM-UHFFFAOYSA-N 509.666 4.508 10 40 KJCB CN(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cn2nnc3ccccc32)cc1 906017 WBDIUEUJWJEYNB-NDEPHWFRSA-N 530.698 4.778 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 33717852 YEHUGCDNQOGVOB-WHNPURCTSA-N 517.695 4.768 10 40 KJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 44945837 QTVSOCJTQPYYMZ-UHFFFAOYSA-N 524.514 4.842 10 40 KJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 97957614 YLATUQBRCMUVEA-HAVVHWLPSA-N 581.679 4.999 10 40 KJCB CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(I)cc(OC)c1O 101549634 OGDMCTIAEOTSHX-LDADJPATSA-N 534.350 4.768 10 40 KJCB O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C/Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 102549256 ROQGIWXHWKFTLN-RELWKKBWSA-N 552.100 4.586 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 103858032 QUBHNYWQCIBOIF-GDNBJRDFSA-N 516.691 4.937 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1cccc(C(=O)O)c1 225396947 HXTJYTQURZOIPP-FTJBHMTQSA-N 561.689 4.736 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OCC)c3)C2=O)cc1 408816860 SMVGPDVEONCNTI-HZHRSRAPSA-N 531.521 4.638 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1F 408878781 BCNYMNBSCJPXRR-YBFXNURJSA-N 555.356 4.938 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408917337 RJAZTPXSTHMHMC-XKZIYDEJSA-N 500.511 4.568 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c2=O)=N1 409047271 TXIIITCHAFVUKQ-OCEWKHMESA-N 623.516 4.810 10 40 KJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409082915 UDCGKTNTWYEMKW-UHFFFAOYSA-N 595.147 4.845 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)C2=O)cc1 409092760 WJPDRRMSRJNORL-UNOMPAQXSA-N 555.421 4.859 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C 409104494 FJCWBQQFNNUMOA-MHWRWJLKSA-N 529.336 4.984 10 40 KJCB CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)cc1Br 409274206 NQVZGLPCCCNIPO-NVNXTCNLSA-N 514.323 4.607 10 40 KJCB CCOC(=O)c1oc2c(CN3CCC[C@@H](C)C3)c(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2 1247891 NFAKETGUVHAQGL-QGZVFWFLSA-N 507.583 4.908 10 40 KJCB biogenic COc1c(I)cc(/C=C2\C=C(c3ccccc3)OC2=O)cc1I 6905757 RLQXLFCDLSCQIZ-NTUHNPAUSA-N 530.099 4.886 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 97964814 QKTAMIQMHOQDCV-NEGDKNQBSA-N 547.980 4.719 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)cc(Br)c2OC(=O)c2ccc3c(c2)OCO3)C1=O 408534134 LLKOKXXWYHEYIZ-SXGWCWSVSA-N 644.228 4.835 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(/N=N/c4ccccc4)ccc3O)c(=O)n2[C@H]1c1cccs1 408773488 LBDHVJUFJBCXTJ-SSBMDRECSA-N 530.631 4.981 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408888340 ZIWRDEPUVWEMKD-CIAFOILYSA-N 552.942 4.910 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1 409048219 RNGPLAMYIULZIG-UDWIEESQSA-N 524.360 4.986 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)sc(C)c1C 409205559 PJZMQJAEVVVGRT-UDWIEESQSA-N 507.637 4.699 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409264026 KEGJYFXCMMDOCX-BKUYFWCQSA-N 639.446 4.991 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1Cl 409267040 RRWFBGQBUZYGOP-FYJGNVAPSA-N 517.969 4.949 10 40 KJCB O=C1N=C(N2CCOCC2)S/C1=C/c1cc(I)cc(I)c1OCc1ccccc1 97960796 XSUWTBFIFZMTBP-WOJGMQOQSA-N 632.261 4.777 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408781156 ALGLQBQSKPVKSL-YBFXNURJSA-N 581.965 4.910 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C2=O)cc1 408891002 JSHJQNLICUYVHZ-HYARGMPZSA-N 657.495 4.767 10 40 KJCB COC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409047373 UFBJJSNKDSYJSE-ONNFQVAWSA-N 549.246 4.511 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409226587 UVVTWPUHCVTWNQ-DJKKODMXSA-N 676.807 4.545 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)n3)c2C)cc1 2633328 WVCNYUFNRBOQCW-UHFFFAOYSA-N 538.651 4.507 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 97946639 ZFJLIKZVGOIXMX-HBVBNRCBSA-N 542.686 4.592 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)ccc1NS(C)(=O)=O 225432116 OBHKOHUFTVSVID-SXOMAYOGSA-N 562.721 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408693946 COHRUAYWHBRHKI-YBFXNURJSA-N 605.385 4.582 10 40 KJCB CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1OCC 408877187 UDKSZBOHSFMPGA-ATVHPVEESA-N 501.377 4.865 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408946631 YZBAPCXSWRLARE-RGVLZGJSSA-N 538.915 4.821 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(Br)c3)C2=O)cc1 409048302 SHZCQULLYUCKTB-OQLLNIDSSA-N 538.192 4.675 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409052868 BBBIGOLXNSXVSA-SRZZPIQSSA-N 578.965 4.639 10 40 KJCB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 409062536 WITCOBZYVCQQHE-MFCBUNOESA-N 566.123 4.757 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1C 409223446 FVLVFUXTSNHUDE-OEAKJJBVSA-N 519.579 4.564 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409268713 XZZOIXIIWXRLFP-OEAKJJBVSA-N 578.419 4.758 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC 409367709 IWFJOWZXEKWXEO-LZYBPNLTSA-N 514.412 4.957 10 40 KJCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1Cl 8777657 UZQYAACLWRXSRY-OYKKKHCWSA-N 526.058 4.594 10 40 KJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(I)cc3)C2=O)cc1 13809820 TULRCDVGZHSLHM-ATVHPVEESA-N 508.406 4.830 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(Br)c1OC 59198150 HVECWFWBULLWHD-QPEQYQDCSA-N 510.138 4.736 10 40 KJCB CCC1=NN2C(=N)/C(=C\c3cc(I)c(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 97957760 HHOUUXBZIXCIHM-QERXFZHVSA-N 606.442 4.795 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1 97961733 YHOMASGMDGUAGG-XDHOZWIPSA-N 560.388 4.673 10 40 KJCB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408531616 HDNSSVMZTYSGMV-ZHZULCJRSA-N 535.350 4.652 10 40 KJCB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408536480 RONCNMDABHWLPY-DHDCSXOGSA-N 536.176 4.502 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)NC2=S)cc1 408763584 SZFDIVAKVNKROH-NDENLUEZSA-N 556.427 4.851 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2Cl)cc1 408898766 MMGYOUGFMODIRG-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(OS(=O)(=O)c2ccc(C)cc2)c1 408900488 SZKVWPRXPHJIJW-BKUYFWCQSA-N 585.432 4.509 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c2=O)=N1 409039420 QYVZWNSEXYKBHI-ASZNLBCTSA-N 525.674 4.823 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1 409227027 XBATYQWMBUXYCB-LPYMAVHISA-N 517.969 4.949 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409256781 QAHLBFYVGJKCRD-JAIQZWGSSA-N 540.359 4.691 10 40 KJCB COc1ccc(N2CCN([C@H](c3ccc(C)cc3)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852411 XQYFCRBSBZCHLA-HSZRJFAPSA-N 501.612 4.985 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1 103851187 ZMXJGCZQDWJEHE-RVDMUPIBSA-N 518.307 4.522 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 103858929 IMCDRAFVNDJAQQ-FYJGNVAPSA-N 565.376 4.791 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 105498377 HMZRQDMYOAOFCD-RISWYLRJSA-N 550.055 4.998 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1NS(C)(=O)=O 225481248 GBFIKAXQZDFKPZ-SVBPBHIXSA-N 563.705 4.752 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)ccc1Br 408756972 YRKGVWBNZGTZJL-UDWIEESQSA-N 522.355 4.530 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC(C)C 408802107 DAQFYCKMYIVIRF-CXUHLZMHSA-N 507.768 4.955 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cccc2ccccc12 408873702 WGRLLGBYGKUBBI-SJJVXOANSA-N 576.516 4.780 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C2=S)cc1C 409007915 RSMZCVBVUFLEFI-JJIBRWJFSA-N 542.617 4.797 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)c(OC)c1 409064638 DSWDFAFARXNDNX-XDHOZWIPSA-N 510.015 4.904 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)C1=O 409065890 NYWCZYCSJDTUOO-SFQUDFHCSA-N 531.373 4.736 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br 409084104 PEPPJLYPDOOJEN-WLPTYJMBSA-N 679.431 4.797 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409178591 MDDSKZUAFKFSAM-LFVJCYFKSA-N 547.658 4.957 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409241989 TVSKGJKGUIYAOJ-VXLYETTFSA-N 544.511 4.861 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1OC 409244522 DZDLUJYWFFGIPG-VGOFMYFVSA-N 529.334 4.707 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409251908 AISCUGPPMQJSNA-JAIQZWGSSA-N 623.416 4.748 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OCC(=O)OC 409340253 SVSBYZFHTDAVRY-WOJGMQOQSA-N 569.442 4.956 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2OC)cc1 409384760 FYADQIGQXPVWPC-ODLFYWEKSA-N 570.385 4.695 10 40 KJCB COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1ccc(O)c(O)c1CC=C(C)C 31162751 BVSLLGGUGCRTFA-PMERELPUSA-N 522.594 4.890 10 40 KJCB biogenic,in-vitro 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408808958 GWLAPFRONIFBDK-KEBDBYFISA-N 513.333 4.953 10 40 KJCB O=C(O)CCN1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S 409264281 OHQYQXXJJQMACM-MFOYZWKCSA-N 511.408 4.687 10 40 KJCB O=C(Nc1ccc(S(=O)(=O)O)cc1)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1 4705997 NWOUADTWSVMHTR-OCEACIFDSA-N 527.536 4.707 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl 103855675 JIRVGVUMMSXKSW-UHFFFAOYSA-N 591.254 4.784 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 103859839 ADVGTNYSUOJCPH-RGVLZGJSSA-N 525.330 4.842 10 40 KJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408869483 SHMKZXQZFHACOK-LPYMAVHISA-N 554.386 4.719 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)cc1 408871277 WRLCXHZYLRCQMZ-FYJGNVAPSA-N 537.341 4.632 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 408893985 HTFDCMDDELACNY-RGVLZGJSSA-N 583.366 4.629 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408895770 VSESAVDRYDLDLQ-ZDLGFXPLSA-N 500.345 4.844 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 408900437 SMYRAMZTGKTXHU-JCMHNJIXSA-N 555.008 4.871 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)ccc1Br 408948907 HIVYQHPAVFWIPY-VXLYETTFSA-N 522.355 4.560 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1 408964626 DWACOJQWTFBLSM-IWIPYMOSSA-N 533.606 4.954 10 40 KJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408968233 XLSYRHDHSPNXBM-ZROIWOOFSA-N 505.310 4.922 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 408995198 ATEWRRFHDNRWIT-UHSZJLINSA-N 526.589 4.829 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O 409055044 HUGBQCGKGOJIIO-ONNFQVAWSA-N 534.975 4.890 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409253779 VGLNJVPDTHHUBD-NHDPSOOVSA-N 578.965 4.639 10 40 KJCB CC1(C)COCCC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O 1534612129 HHAKTVQDZURBRI-DPZBCOQUSA-N 552.703 4.778 10 40 KJCB COc1ccc(N2CCN([C@H](c3cc4ccc(C)c(C)c4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1 19826507 PQWVDCNUDQVIGE-MUUNZHRXSA-N 527.673 4.557 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1I 98045399 HZLFERFNCYBETC-HKBOAZHASA-N 628.216 4.749 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1OC 225300764 PHPVMRDIKFSZIS-WUFINQPMSA-N 556.692 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(Cl)c1 408805575 GVUIKGICKQKCDH-RGVLZGJSSA-N 507.886 4.502 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Br)c1Cc1cccc(F)c1 408866934 JEQDULNDRPPSFP-WQRHYEAKSA-N 527.321 4.993 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1 408873750 VJUXCSLYGIUUKR-XKZIYDEJSA-N 507.543 4.695 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409072965 WNLUWAFPZFUVHH-YBFXNURJSA-N 511.317 4.937 10 40 KJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br 409128903 HBYNRCPMZJUSQX-MHWRWJLKSA-N 503.418 4.695 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 409221256 NOIOOXVCBYNDIP-RGVLZGJSSA-N 513.497 4.642 10 40 KJCB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 2239516 ARUQEBLALNRZEH-HKOYGPOVSA-N 540.066 4.900 10 40 KJCB O=[N+]([O-])c1cc([C@@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(c2ccccc2)CC1 59488692 ZXSINBWHPAPOGF-NDEPHWFRSA-N 506.570 4.720 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 101114073 IPGRDCBSBIXABQ-LNQWCPNTSA-N 531.638 4.604 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1NS(C)(=O)=O 225482020 YNYKOFKPTKUBHW-KAYWLYCHSA-N 591.715 4.745 10 40 KJCB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)NC3=O)c2-c2ccccc2)cc1 408740818 MXHNDSZWYXYTNL-UHFFFAOYSA-N 505.530 4.737 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408801233 SOZOLMDYOWHFPM-LDADJPATSA-N 507.886 4.502 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C)cc4)c(OC)c3)C2=O)cc1 408809576 HWCYQYFLOJEOGM-CIAFOILYSA-N 626.403 4.640 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408810976 VDGIODXWHQJKJI-CIAFOILYSA-N 626.403 4.640 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)c1 409183477 SUEGXIDKTMQZJZ-PXLXIMEGSA-N 503.605 4.559 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409222717 DNRNLJQBDANURK-HYARGMPZSA-N 578.419 4.840 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409257674 RTIOTSAJDZQJDY-NHDPSOOVSA-N 592.992 4.948 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(Br)cc1O 409335712 YWYMPCWHYRCSDC-PXNMLYILSA-N 513.822 4.753 10 40 KJCB Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)N=C2S1 97964916 VDOMWOVIEPAIKE-FMMKGZISSA-N 550.232 4.924 10 40 KJCB C[C@@H](Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O)c1ccccc1 100763677 LMXKMECRWGGCFR-NQRZERFFSA-N 542.642 4.998 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 408812266 SAMTXEPSKJCMCW-HYARGMPZSA-N 534.952 4.771 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(C)c1 408814617 RSLVMRWTZMMWNV-LPYMAVHISA-N 501.495 4.547 10 40 KJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)c1 409235814 BXCIEKBZNJWXRO-RGVLZGJSSA-N 507.999 4.894 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409251988 AYTJXLKZSVMQTM-FBHDLOMBSA-N 670.416 4.509 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)OC 409333628 UYAGLBXRTFGWRK-YVLHZVERSA-N 600.412 4.556 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(=O)Nc1ccccc1F 409400217 QOJGLSYECNYNTP-WJDWOHSUSA-N 574.790 4.729 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(OCC(=O)Nc5ccccc5F)cc4)c3C)C2=O)o1 409403052 YKQNCUXPDLGERC-YSMPRRRNSA-N 586.576 4.723 10 40 KJCB Cc1cc(C(=O)COc2ncnc3sc4c(c23)CC[C@@H](C)C4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 2643165 LCPGYPDBARTQRZ-GOSISDBHSA-N 580.732 4.506 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCCOc1ccccc1 12285289 SCKWKCJPQGWZDI-STZFKDTASA-N 506.942 4.781 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 100229050 AYPUIWYIIJLUDR-UQQQWYQISA-N 530.577 4.835 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408898307 KUEQZMDANHHBPZ-KQWNVCNZSA-N 599.459 4.980 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1 408935338 CYFSUAMAUFVGMB-WOJGMQOQSA-N 540.301 4.742 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(F)c1 408947396 CIPYDNLGCRDVFO-DJKKODMXSA-N 583.366 4.961 10 40 KJCB CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC 408985134 VRCMWPOYHCNPTD-NVNXTCNLSA-N 507.768 4.875 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1Cl 409259917 HPRFODAPPHUPSW-IXGURIBZSA-N 519.044 4.746 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409263623 NDNSNOBEUXQSEP-UCQKPKSFSA-N 527.577 4.613 10 40 KJCB O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S 409368348 ZBKSJWCZWNPJGH-WOJGMQOQSA-N 509.440 4.768 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 59595150 ZRQWRWJOBBLBMO-LPYMAVHISA-N 515.566 4.677 10 40 KJCB Cc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)c1 101153130 JQOOUOQBZHOQPB-BHDDXSALSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408773478 KYDFLUCBLDOJFS-RGVLZGJSSA-N 566.364 4.920 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408819519 ZEGIVUNPTPURHB-CIAFOILYSA-N 507.886 4.502 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 408990476 WHKNBEWMLQIBPX-JLHDDXNDSA-N 585.726 4.922 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409059666 WLXTXCIXPDCGAB-LPYMAVHISA-N 639.446 4.991 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409221774 AVPKMHSCQVAJAO-CIAFOILYSA-N 578.965 4.639 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409261488 DGDNFIPWWQMHOE-HAHDFKILSA-N 514.669 4.957 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 409265394 URVITSDKTCAYJT-MTJSOVHGSA-N 593.390 4.658 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1 409383635 YPNDVJSLHAGTFI-NDENLUEZSA-N 540.359 4.686 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)o1 409394401 ZZGLDXXVZAYCAG-FYJGNVAPSA-N 513.575 4.517 10 40 KJCB CCOc1ccc(-c2oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c3c2CC(=O)OC)cc1OC 604406127 XAXJZDVGPSWUGY-UHFFFAOYSA-N 548.500 4.818 10 40 KJCB biogenic COc1ccc(N2CCN(C(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)CC2)c([N+](=O)[O-])c1 8898559 FHNFLURZTJEYTJ-UHFFFAOYSA-N 502.782 4.908 10 40 KJCB COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)CC2)cc1 97946686 ZMOQBTWFHDBFAH-MLQDUXEUSA-N 583.739 4.992 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 408852006 PGMZPWZGTLPVDM-DJKKODMXSA-N 583.366 4.961 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408868764 BETYTTQHJIKQBY-BUVRLJJBSA-N 547.995 4.764 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OCc2ccccc2Cl)c1 408881899 MYFWLLQMVAIKEP-RGVLZGJSSA-N 507.886 4.502 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408894430 CKSYFVIKBKSGDW-LICLKQGHSA-N 583.307 4.733 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 408989470 UISGZEFDEFSGHY-ITNPZBTBSA-N 585.726 4.840 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4ccccc4C)c3C)c2=O)=N1 409033998 GSBALFXDVMGWIA-CMISJSSVSA-N 511.647 4.514 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OCC 409148466 YVXGUDILVMPPAW-MHWRWJLKSA-N 503.418 4.695 10 40 KJCB CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 32109397 XBUUHRMROUDEET-UKHUTJJTSA-N 522.627 4.897 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OC 97958054 XJXHGIBLMHUQOG-NRKQKUOFSA-N 558.616 4.860 10 40 KJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 102730667 XGZIKWCOIIXNCP-YBSSFRMFSA-N 509.035 4.688 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408764975 OIPJKWQSAMJPLO-UDWIEESQSA-N 566.364 4.920 10 40 KJCB COCCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C 408949664 IPRQAOMJZVYWDR-VULFUBBASA-N 501.627 4.886 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccccc1 409044281 VFLIWMPVMBIMIY-FYJGNVAPSA-N 533.968 4.731 10 40 KJCB Cc1ccc(NC(=O)COc2c(Br)cc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 409222922 FFPZZYNFCVDNIH-VXLYETTFSA-N 629.261 4.910 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 409273549 ZARMCOMGARWJFE-KGENOOAVSA-N 548.393 4.750 10 40 KJCB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 409368550 BMJLZVNHDPMYQS-REZTVBANSA-N 514.412 4.957 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409381121 FJXWXOAKUOOJDT-CIAFOILYSA-N 584.810 4.795 10 40 KJCB COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 867283 KPCHRNUDLYNHTL-FDFHNCONSA-N 522.340 4.697 10 40 KJCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(C(C)C)cc4)c3)CC2)cc1 3024786 IKLGBODSSKCFGB-UHFFFAOYSA-N 511.619 4.721 10 40 KJCB O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8820687 KDPKXQWOJIDMTJ-LICLKQGHSA-N 506.949 4.777 10 40 KJCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 9459784 KXOGREBYHKYSPM-HUEMJPGFSA-N 510.623 4.879 10 40 KJCB C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1)c1ccccc1 13778973 VBMHWEBPFUSFFS-NIYFWLDBSA-N 501.612 4.848 10 40 KJCB CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C\C=C2\SC(c3ccccc3)=C(c3ccccc3)N2C)c(=O)n1C 102580649 PNUGXJRBUPSYIE-ADFXAYNPSA-N 562.720 4.847 10 40 KJCB Cc1cc(C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c(C)n1-c1ccccc1 103071396 POYIACARUPFYLM-UHFFFAOYSA-N 548.583 4.940 10 40 KJCB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc2ccccc2c1 103856721 FNFQWZJNLZEKNB-UHFFFAOYSA-N 572.424 4.631 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408892381 ZAHZUMGRTXZCLQ-KGENOOAVSA-N 524.982 4.699 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408892412 BAYDVISSWZEJAA-VXLYETTFSA-N 652.850 4.696 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)c1 409019426 JAFLDXGEJRRXRB-ZXVVBBHZSA-N 572.687 4.656 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409060864 WSIDBYNIAZDHBH-LHMNITIUSA-N 609.748 4.943 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1 409409925 RXSJMRHTVDWEEV-LDADJPATSA-N 542.183 4.892 10 40 KJCB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1O 2099484 KDSAZIRPLGEFTR-PZJWPPBQSA-N 536.632 4.704 10 40 KJCB biogenic CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 3668472 KSMCZECVOPYTBV-AHNSQEAUSA-N 585.726 4.815 10 40 KJCB CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NC(C)(C)C)C2=O)SC1=S 101002498 OIRSTPQFPCBRPW-FMQUCBEESA-N 600.898 4.869 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCc1ccc(Br)cc1 103857120 RFQDOIHUFAADKQ-UHFFFAOYSA-N 615.287 4.630 10 40 KJCB CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148444 OUYRKALMDCCDGZ-XTEPFMGCSA-N 503.716 4.665 10 40 KJCB CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C 223653624 JKIWIZNPVREPLM-XZOQPEGZSA-N 513.461 4.787 10 40 KJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408530490 IZAHLEMQVVSTIW-CLCOLTQESA-N 570.097 4.884 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543796 TXQKIJYOEJUTMR-HAVVHWLPSA-N 557.578 4.706 10 40 KJCB CCOc1cccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 408753986 IDCHKVSKAHLWJD-IWIPYMOSSA-N 524.602 4.510 10 40 KJCB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1OC 408857800 MQEFAXSTMSIPBQ-DHRITJCHSA-N 558.631 4.771 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4F)c(OC)c3)C2=O)cc1 408899482 PSGJEZHSOAPATO-YBFXNURJSA-N 555.356 4.851 10 40 KJCB CCCCCCOc1ccc(OCCOc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2OCC)cc1 408972093 RUFIIKPCPSUZMK-UHFFFAOYSA-N 531.005 4.905 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409073649 WSHVRFVAILCOCX-VCHYOVAHSA-N 565.362 4.575 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 409224641 MWZMNTMOASNNBU-DEDYPNTBSA-N 510.333 4.677 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1C 409256459 LIQBPEWDELGVOX-BKUYFWCQSA-N 503.942 4.641 10 40 KJCB CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1cc(I)ccc1S2 19801742 LIMCNUXBDPXQLR-OAQYLSRUSA-N 508.469 4.773 10 40 KJCB COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 70687961 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4.968 10 40 KJCB CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S 102827455 KGBPJCWSXJZTBK-HKOYGPOVSA-N 568.746 4.562 10 40 KJCB COc1ccc(N2CCN(C(=O)[C@H](Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)C(C)C)CC2)cc1 252527423 CNNBJRHFHPSPJC-ZBWWXOROSA-N 658.796 4.657 10 40 KJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 408533393 SAMSZEUIBJOIKP-CYVLTUHYSA-N 537.462 4.657 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)NCc1ccccc1 408572336 GGZLOAIRXKVXIX-UCQKPKSFSA-N 508.596 4.935 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408825937 SCRYCOGASWNYDD-VXLYETTFSA-N 542.773 4.875 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1cccc2ccccc12 408872795 IYDFSTRHBPHSAD-QYTZQGLJSA-N 525.674 4.798 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c2=O)=N1 409039125 QOAZZGISPWATFF-RISWYLRJSA-N 532.065 4.859 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(Br)c2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 409052756 IATBQCFNVKIKFY-ABBNRAPFSA-N 610.574 4.950 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409063962 AYAIGWFVTBPZPJ-DJKKODMXSA-N 556.314 4.845 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)C1=O 409220121 UMAPRGBVGYKEFR-UDWIEESQSA-N 524.360 4.986 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409348710 OSFSZQJLLMVUKV-CXUHLZMHSA-N 575.833 4.911 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1OC 409375355 JMKZYUCWXNYBTC-QNGOZBTKSA-N 594.020 4.830 10 40 KJCB CCOc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(N3CCOCC3)cc2)cc1 6089826 HHKGFOZXCVJIKT-UMSFTDKQSA-N 604.711 4.758 10 40 KJCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 10113447 ADZDWHWRCIIQCA-MUUNZHRXSA-N 522.070 4.881 10 40 KJCB C[C@@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131400 ISJVOEOJQLKSJU-HYQHGBLTSA-N 721.646 4.548 10 40 KJCB in-vitro Cc1ccc(-c2nnn(CC(=O)N(c3cccc(C(F)(F)F)c3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330014 ZMXVGSMNNJHOBS-LMSSTIIKSA-N 621.664 4.803 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)c(OC)c3)C2=O)cc1 408869908 SUDUXBCCMAYYDK-FYJGNVAPSA-N 549.377 4.502 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408895514 KYKQQVJENBZPDP-ULJHMMPZSA-N 528.611 4.747 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408938383 QGZKIBJSIINHNR-FYJGNVAPSA-N 520.925 4.682 10 40 KJCB CC(C)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409046391 KLEBZTHVWFVZFP-VIZOYTHASA-N 567.190 4.821 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(OC)cc1 409056237 FZFPCCXJBSTJMG-ZEZCTPEWSA-N 579.722 4.853 10 40 KJCB CCOc1cccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCC(=O)O 409205180 GFQQMGSEWVVCHO-XQNSMLJCSA-N 530.602 4.914 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 409406645 KPFAINZAPULLFL-NDENLUEZSA-N 537.366 4.586 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 100192674 HFQSPHDPKHUUAC-YBEGLDIGSA-N 516.691 4.937 10 40 KJCB CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC 408844120 CAPCDJGBEDHRAJ-MDWZMJQESA-N 602.290 4.928 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 409073489 ZITWQMMMZXXHJZ-CIAFOILYSA-N 642.402 4.642 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1 409260021 JJCAWWGGHHIYIX-DUQUIBLKSA-N 519.044 4.746 10 40 KJCB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc(OC)cc4)CC3)cc2c1 19940698 ZWEDPHBOMBWNSG-MUUNZHRXSA-N 527.673 4.502 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC 100230160 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CLDHMQLKRNMARW-WOJGMQOQSA-N 547.805 4.875 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)c(OCC)c3)C2=O)cc1OC 409361191 AKXRDYODJVLBQD-HAHDFKILSA-N 591.592 4.706 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1C 13940822 CMMMRVQVWIQJMT-QJOMJCCJSA-N 500.551 4.826 10 40 KJCB CCOC(=O)Cn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c2cc(Br)ccc21 59087196 GDERUJIMGWGHMX-VCHYOVAHSA-N 502.365 4.602 10 40 KJCB Cc1c(N2C(=O)/C(=C/c3c(Oc4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 97946588 GDLITTSQPOERRY-XLNRJJMWSA-N 567.652 4.690 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2C)c1 408964719 DGDRJECOFGABQK-LPYMAVHISA-N 552.450 4.865 10 40 KJCB COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3C)C2=O)ccc1Cl 408998153 IESZXNSJYNDUCT-WOJGMQOQSA-N 510.894 4.774 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1 409217349 BPUKNGYQSGGIJM-UDWIEESQSA-N 572.774 4.926 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1C 409268681 XLKGUUWJAFWQDF-XKZIYDEJSA-N 548.939 4.549 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1OCC 409270555 QUGTZKPWJHULMH-JJIBRWJFSA-N 557.603 4.866 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccc2c(c1)OCO2 409401516 YWUYURSWSFCYLA-ZDLGFXPLSA-N 527.758 4.872 10 40 KJCB COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 80324566 SMKBOLMZQKFVCM-RLSLOFABSA-N 521.551 4.929 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1Br 223141394 CMLORQJUOICXTJ-RPBOFIJWSA-N 540.531 4.556 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)c(OCC)c1 408734435 GKHGQPAQOLHTIP-UNDLXJOSSA-N 630.723 4.911 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Br 408865980 FPCQQZDTGJJQSL-DEDYPNTBSA-N 506.312 4.615 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 408896103 JMJOHEMHAPUECY-BKUYFWCQSA-N 536.338 4.911 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 408901634 ZHSCZOHWXJJXET-HAHDFKILSA-N 504.514 4.869 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 408990477 WHKNBEWMLQIBPX-PYCBVSLESA-N 585.726 4.922 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 409073160 XVDBCBQNVSCZMS-UDWIEESQSA-N 591.425 4.835 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409178459 JUXCYPUYBBAIDR-HYARGMPZSA-N 521.576 4.729 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409256799 NJRDATPEGFFRBR-XBPUZACXSA-N 512.653 4.710 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1I 409349736 WDDYESHAQMABCN-SXGWCWSVSA-N 544.823 4.808 10 40 KJCB COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1OC 8870256 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409021470 JMAHPGJTKRQFPC-MRWVFDTMSA-N 643.762 4.708 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC 409374838 AJCYDOPOVILVIH-GZTJUZNOSA-N 503.418 4.640 10 40 KJCB CCc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 8431953 VBFSYKULYAAZOX-XPWALMASSA-N 530.374 4.707 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 100229347 JGZLKACJDKQVEL-XHPQRKPJSA-N 544.604 4.843 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 101455021 PGGKFEAYJLUJPF-VXLYETTFSA-N 552.337 4.611 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1 408899979 QVJNKBJWFKLUNV-PDGQHHTCSA-N 517.376 4.702 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409031337 ARGHFSXIJXACSE-MBSKNMOHSA-N 629.735 4.730 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409046624 KOTFYXOZGUKIIE-GIJQJNRQSA-N 528.304 4.853 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1 409075037 WZIKHNAZESNZRP-LDADJPATSA-N 561.399 4.826 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NCCCOC)c12 409124548 IEHHKPLHLBYIAR-IWIPYMOSSA-N 537.707 4.766 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 409225664 QUFFHAXHKIKSDD-XDHOZWIPSA-N 554.784 4.786 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)c(C)c1 409271015 SPIOIOAWAGWTAF-LPYMAVHISA-N 517.969 4.949 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1Cl 409371848 JAJIXHPRTXBNMN-RQZCQDPDSA-N 592.773 4.787 10 40 KJCB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 2382621 DALRZBBXLKECJX-HKOYGPOVSA-N 540.066 4.900 10 40 KJCB Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 164847411 KRWAICPPHMGCAR-HRIDGTDGSA-N 662.164 4.804 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408551210 JKRDPWAMYCUYTA-ODLFYWEKSA-N 599.383 4.984 10 40 KJCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408722483 JLZVEWPCGQCGLV-WOJGMQOQSA-N 524.898 4.780 10 40 KJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)cc3)C2=O)c1 408995014 KQBJNOZMITXFIM-HYARGMPZSA-N 538.341 4.845 10 40 KJCB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409197029 UHIDAQVLYHDNNZ-UUYOSTAYSA-N 559.647 4.635 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)C2=O)cc1 409225613 NFYFFNFDHYDJKR-RGVLZGJSSA-N 582.396 4.772 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409264321 OVJNGJONVCOACC-RGVLZGJSSA-N 643.409 4.740 10 40 KJCB 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4.523 10 40 KJCB CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 409059527 RVRVPPKKXBRXST-WHNPURCTSA-N 547.746 4.899 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409129699 WAKPWSUMTPXLAX-VLDJDNEVSA-N 505.665 4.905 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 409266867 LMAYNOADMBQNJX-YDZHTSKRSA-N 669.472 4.999 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409362018 FEKCTZCUJXWPJO-NDENLUEZSA-N 553.999 4.727 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1C 409382895 XEQRTRDEQCMYGR-UNOMPAQXSA-N 521.932 4.780 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 9310554 NILHBJGZNBCEOR-CIAFOILYSA-N 514.625 4.512 10 40 KJCB Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)c(Cl)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 18181188 ZYJNHRKOXUVWMK-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB 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CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408992214 ZZXONKYRWWZGFW-FQKMCRJQSA-N 590.101 4.946 10 40 KJCB COc1ccc(Cl)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3C)c(=O)n21 409058269 KHVWZYDZTUUZSH-MFCBUNOESA-N 566.123 4.757 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1 409241376 SCFSBRJRZMZEGI-BUVRLJJBSA-N 501.608 4.835 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1C 409247024 FWOLNKJMIQTLOK-CPNJWEJPSA-N 507.999 4.674 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1C 409377232 GWAHIMLMGLQCEC-MXAYSNPKSA-N 546.605 4.632 10 40 KJCB N=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 101041761 VPIIOUNLQSDUOL-QZKYPLDBSA-N 540.649 4.742 10 40 KJCB Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccc(/N=N\c4ccc(S(=O)(=O)O)cc4)cc3)c(O)c12 104389004 JYXGDZFDMPUXTI-OUYNTLDRSA-N 607.604 4.699 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC(C)C 408803066 KXGHMBGZOCFZAZ-VIZOYTHASA-N 554.768 4.715 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)c1 408897415 JFQPCSONMLHRQR-CIAFOILYSA-N 566.383 4.889 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 408916737 GRIODDZHTYNKNO-JAIQZWGSSA-N 598.450 4.754 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2C)c1 408966567 MFPXSRDISHVWNS-XQNSMLJCSA-N 501.608 4.665 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409036516 ROAXCQVUXGOYON-FPWMYLJGSA-N 657.789 4.773 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409067256 QAKXIYAJUKPSCW-GIJQJNRQSA-N 596.788 4.989 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC 409242726 SSBWVYFQHGZMQM-YVLHZVERSA-N 550.418 4.653 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(I)c(OC)c(OC)c3)SC2=S)cc1 409343603 IAEADNXDBSXDIX-YBEGLDIGSA-N 513.378 4.723 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1C 409382374 KWABYMKZSWMMMW-MYYYXRDXSA-N 529.618 4.502 10 40 KJCB COc1ccc(-c2coc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1OC 9033983 XPNOMIDEYVNXJH-UHFFFAOYSA-N 508.615 4.860 10 40 KJCB biogenic COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100267878 LOPUYEKMGUACNT-UOSKESRZSA-N 577.482 4.809 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)C1(O[C@H]2c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 100517584 KWYITRHGYBEVOM-BDTNDASRSA-N 506.341 4.684 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223542030 UNGBVUHVJCKCHK-FTJBHMTQSA-N 514.611 4.974 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 408740084 DCXQOLXAUHKPER-LFYBBSHMSA-N 559.008 4.649 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1 408805130 IPBXNLOEEQHNHO-BUVRLJJBSA-N 500.551 4.956 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409086670 AIEIGFDHFKAVIR-WQRHYEAKSA-N 553.281 4.724 10 40 KJCB Cc1cccc(NC(=O)COc2c(Br)cc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)c1 409257990 SJBZIZJPCUNYCO-GRSHGNNSSA-N 629.261 4.910 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)SC2=S)cc1 409328332 SIMQSUUWWYDJNC-OEAKJJBVSA-N 551.602 4.737 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccc(F)cc1 409401786 ZXZWOBOAQVBSTI-ZDLGFXPLSA-N 589.215 4.830 10 40 KJCB O=C1[C@H]2[C@@H](c3ccccc3Cl)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1 1192072 SNRIIZHGTUHORD-QHAWAJNXSA-N 536.765 4.798 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 8396094 OJCGPRWCJQVZLI-OCEWKHMESA-N 532.065 4.859 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 59594438 DKBZRIUHWYHOND-GZTJUZNOSA-N 500.985 4.933 10 40 KJCB CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)cc1 100525240 ISEVYNJOIAPBEP-AWZKZOKMSA-N 520.390 4.694 10 40 KJCB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Br)ccc3O)[C@H]2C(=O)N1c1ccc(Br)cc1 102756112 YNSPZAUKPYUQCP-HKBOAZHASA-N 544.199 4.968 10 40 KJCB COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223191030 FDBPEJIKYJSIQL-SXOMAYOGSA-N 540.133 4.846 10 40 KJCB CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 408539311 VHKVPPKEVKKJET-UYRXBGFRSA-N 516.348 4.983 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)c2C)sc2c1CCCC2 408768155 UGZPMKVGWSPLID-UDWIEESQSA-N 521.570 4.627 10 40 KJCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)c1C 408781699 DBNANAVXOOJUSB-FYJGNVAPSA-N 539.373 4.982 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408789913 OODVCFWJGFJQIF-ZEKHAJRLSA-N 606.517 4.903 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408802355 DMHOGBZGRCHTOF-SRZZPIQSSA-N 507.886 4.502 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCOCC3)c12 409129754 SJTCRQJDMYSJJW-KQWNVCNZSA-N 511.713 4.844 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C 409237809 JQVCDSDZVOIMBR-HZHRSRAPSA-N 501.608 4.835 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409243668 XMJPWAJCOLYHGL-WQRHYEAKSA-N 568.458 4.927 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409261959 GINRMIOTHBCGAU-YVLHZVERSA-N 541.434 4.695 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409265402 UTMRUGSHLSGSND-MTJSOVHGSA-N 641.487 4.765 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(OC)c3)C2=O)cc1OCC 409378561 QEWBEMPXFZLGDQ-RCCKNPSSSA-N 591.592 4.706 10 40 KJCB COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(Cl)cc1 409407665 NKMXQZKKAZYIDC-NDENLUEZSA-N 556.800 4.590 10 40 KJCB CN1CCN(C(=O)CC2CCN(CCc3ccccc3)CC2)CCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O 643568226 QULYFSVYJBXVGJ-UHFFFAOYSA-N 624.826 4.752 10 40 KJCB O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)cc2)cc1 4804169 TYVGSUNDGUVWQC-QSZPNPOGSA-N 608.588 4.822 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 8819860 DXXPGNKAISBKSB-MOSHPQCFSA-N 501.586 4.709 10 40 KJCB Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CCN([C@H](c3ccc4c(c3)OCO4)c3cc4c(cc3O)OCO4)CC1)OCO2 22859550 VDOTYYGPDCAYHS-AQOUDTPCSA-N 626.618 4.509 10 40 KJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2C)cc1 41108656 MGSFSCYGOXPBHY-UHFFFAOYSA-N 514.504 4.861 10 40 KJCB COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 96116228 IFYRJQZTJFYPFS-QGZVFWFLSA-N 506.507 4.806 10 40 KJCB biogenic COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 113833311 NCYGYNZRKSKOQG-UDWIEESQSA-N 546.579 4.916 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 225216743 AUROPOGANVAPTF-VSGBNLITSA-N 555.660 4.949 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)ccc1NS(C)(=O)=O 225431404 FUGPTDJAOUSCSM-VSGBNLITSA-N 622.729 4.963 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1cccc(C)c1 408801432 SXSYLIDGNGYVEB-KEBDBYFISA-N 613.364 4.762 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(C(=O)O)cc4)c3)C2=O)cc1OCC 409191943 QUBOMQGLOPPJSS-XYGWBWBKSA-N 558.587 4.813 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)C2=O)cc1C 409223348 HBOBCUJHQYLEQB-OEAKJJBVSA-N 503.942 4.641 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409264703 PLMHGKDWSVSPSG-MTJSOVHGSA-N 684.443 4.899 10 40 KJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC 8918612 GYVBHSOTBVPNDX-ZNZIZOMTSA-N 509.558 4.735 10 40 KJCB biogenic COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)ccc1OC 225299089 BKGMXZPQNVXUDH-LOYHVIPDSA-N 585.686 4.988 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)C1=O 408885859 GAJNVMVXIKNHEG-QNGOZBTKSA-N 569.433 4.754 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(I)c1OC(C)C 409245068 MYOCGBFMIGHPLH-VIZOYTHASA-N 570.836 4.880 10 40 KJCB Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 9461464 KQROYQIEVWXDEZ-STZFKDTASA-N 508.669 4.631 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 15230427 LFJPGFCRRNTPPN-CVHFWEDTSA-N 516.616 4.622 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(I)c2)C1=O 112246092 XCTUXZPYBWMLPQ-XDHOZWIPSA-N 582.350 4.543 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 229618483 IKVJYZCLCGIDKT-SDHOMARFSA-N 523.545 4.859 10 40 KJCB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O 408537132 UPPWFEPGTDLRSA-JVZNMENBSA-N 535.394 4.718 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)c1 408757777 BWXBWIRPQIELLZ-CIAFOILYSA-N 550.409 4.926 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408771149 FPNQUPINRKHLOR-ONUIUJJFSA-N 512.562 4.586 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCc1ccc(F)cc1 408812703 XDNWXXTXIOWQAT-DJKKODMXSA-N 617.327 4.593 10 40 KJCB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1 409011785 IOECRJJADSHLLK-HZHRSRAPSA-N 552.008 4.683 10 40 KJCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409063985 BAWHPEFGOGTQAR-FOWTUZBSSA-N 561.797 4.537 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409066283 HUTZZLFJPZGESI-CFEDROAVSA-N 567.711 4.869 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2cc(Br)ccc21)N1CCOCC1 409130961 OPFNOZBTQLEGJT-UCQKPKSFSA-N 570.534 4.707 10 40 KJCB Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409268369 SNNZQQUWNBPOMS-UNOMPAQXSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 409407503 GIQAMRZJZTVYSE-ZHZULCJRSA-N 507.340 4.528 10 40 KJCB O=S(=O)(O)CCCN1/C(=C\c2sc3ccc4ccccc4c3[n+]2CCCS(=O)(=O)O)Sc2ccccc21 1883588 YDTLZANSZKVIOB-UHFFFAOYSA-O 577.751 4.809 10 40 KJCB CC1=NN(c2ccc(Cl)cc2S(=O)(=O)O)C(=O)[C@@H]1/N=N/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 100254000 FUIFCOARNSUCDE-VQAHOFKPSA-N 563.013 4.538 10 40 KJCB Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 103138472 NGICYIGOXXGBMF-SFHVURJKSA-N 524.529 4.830 10 40 KJCB COc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 225661935 NFQHRWZFNDQXGC-NSOVKSMOSA-N 526.666 4.894 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408857430 OBOSYNKLVTUVKC-GIJQJNRQSA-N 712.209 4.979 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc(C)c(C)c4C(=O)OC)c3C)C2=O)cc1 409205234 GQXVAJZSZMUWRZ-FYJGNVAPSA-N 521.595 4.624 10 40 KJCB CCCCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nc2cc(S(N)(=O)=O)ccc21 103088298 QRUQEVPAFNVPPY-UHFFFAOYSA-N 554.694 4.653 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408532477 IGLRHLDVWVQNDN-XMHGGMMESA-N 520.925 4.633 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408797978 DEEUARWGOHXDHC-HYARGMPZSA-N 515.522 4.856 10 40 KJCB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)c1 408827328 JDOQMYQQPLSFAI-HVDVVURSSA-N 618.715 4.988 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl)Nc1ccccc1 409046097 IRYWHLDMLLWENG-SFQUDFHCSA-N 510.333 4.677 10 40 KJCB O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 409083273 UZVCKXYQGQDNTN-UHFFFAOYSA-N 506.245 4.627 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)C1=O 409265737 OHNDJBSPNRQITH-LGMDPLHJSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409363676 MDLCGFNFSJSEGV-NDENLUEZSA-N 582.382 4.671 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1 409383065 RAKSDGMOAGZHPB-HZHRSRAPSA-N 594.418 4.540 10 40 KJCB COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 2185245 VKXATEHDWXRLFD-PRLWALMFSA-N 559.663 4.742 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1COc1ccc(NC(C)=O)cc1 13773541 KZMNNEJCKCOELH-MYYYXRDXSA-N 527.577 4.824 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(F)cc1 103845266 CWYZNORILRWWAF-QGMBQPNBSA-N 569.339 4.571 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1 225220628 AJPNUTKKOGMWLY-VSGBNLITSA-N 526.666 4.955 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408532153 SNVTUBANBHNEMP-YVLHZVERSA-N 507.431 4.663 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3cc(I)c(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 408762167 JLXSTQPDKOZBIT-NDENLUEZSA-N 600.434 4.719 10 40 KJCB CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408801025 SEZDXCQDXHRTHP-MHWRWJLKSA-N 508.166 4.665 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408899947 QPFWMGFFTASDQX-WSDLNYQXSA-N 547.995 4.958 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC 408972653 QHMZAIQVWDNRFL-DHDCSXOGSA-N 574.293 4.590 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409225570 PTIKVERVFWAEGO-VXLYETTFSA-N 649.800 4.776 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2)cc1C 409381161 DIPLCDUVKLSCSW-OEAKJJBVSA-N 564.461 4.915 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1 225518643 SGNCZEVYYNEDNJ-WUFINQPMSA-N 539.661 4.887 10 40 KJCB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408537130 UPPWFEPGTDLRSA-DXPULXMFSA-N 535.394 4.718 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408803624 RHXAMIPSGDNBIV-SRZZPIQSSA-N 521.913 4.811 10 40 KJCB CCCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 408804728 GZAHNCPUFFPKMA-MHWRWJLKSA-N 599.219 4.908 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccccc3)CC2)cc1 409053630 GPEWTEZJNLGONF-UHFFFAOYSA-N 548.492 4.542 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c([N+](=O)[O-])c1 409233449 SGNGHMQWEKTUAE-VXLYETTFSA-N 544.511 4.861 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1C 409267788 PANBMYHIMBSLBY-BKUYFWCQSA-N 593.390 4.658 10 40 KJCB CC(C)Cn1c(=O)c([C@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc2ccccc21 108448483 AKRKOIWBWHEZPX-QGZVFWFLSA-N 555.539 4.694 10 40 KJCB biogenic COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c2C)sc2c1CCCC2 408779377 DLHVFIMIIDEZAY-KGENOOAVSA-N 517.607 4.796 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCCC3)o2)C(=O)NC1=S 408847610 QQVZURSSILMEOB-NTEUORMPSA-N 539.249 4.545 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409068207 TVJCVQGQYWQSCB-YBFXNURJSA-N 606.396 4.734 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C(=O)NC2=S)c(OC)c1 409102632 ZDGYFFLYNRXUHR-VCHYOVAHSA-N 558.429 4.844 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 409232277 NPYPQMMHDPHHQA-UZQMFHLOSA-N 563.495 4.855 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O 225472499 YRJMIXKCWYZTQC-FIRIVFDPSA-N 632.812 4.883 10 40 KJCB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408527951 AKQQUSPLNJPPEB-MOSHPQCFSA-N 555.768 4.997 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 409011363 HIUONLJAGNDTQT-ZVHZXABRSA-N 541.025 4.906 10 40 KJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1cccc(Cl)c1 409025954 BRSUVORIOKGPOS-MFOYZWKCSA-N 542.782 4.639 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409090822 OWGODDLMANPWTJ-RQZCQDPDSA-N 613.333 4.741 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 6545194 BUIDUPYJMXCJOV-LMSRTUJASA-N 593.061 4.686 10 40 KJCB CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 9456719 TWSVLRMKFZKJMI-PYCFMQQDSA-N 522.696 4.773 10 40 KJCB COc1ccc(N2CCN(CCCNC(=O)C3CCC(CNc4nc(=S)[nH]c5ccccc45)CC3)CC2)cc1 17337618 AWWUAWNKXYUOAA-UHFFFAOYSA-N 548.757 4.848 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C 223314202 KMVLBIXARHLRLT-LQGLAIQGSA-N 507.616 4.557 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1F 408934566 BIXSIDUVUKJCGV-VCHYOVAHSA-N 525.876 4.641 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409015574 SOEMMJXSVKOCGJ-OEAKJJBVSA-N 578.021 4.691 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)c2C)c1 409018637 HXGGJABSSXRWRX-OVVQPSECSA-N 572.687 4.574 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409218704 GNLGKCNWPXHBNE-CIAFOILYSA-N 623.416 4.748 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2055759 XIDJFLBGGDBTLE-RISWYLRJSA-N 593.061 4.686 10 40 KJCB CC(C)c1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1 6077026 ARLIKDBEXIDGQE-SANMLTNESA-N 562.740 4.851 10 40 KJCB COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 33534198 FZBSOZQJJQYXTF-ITRUVEPVSA-N 521.002 4.827 10 40 KJCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(OC)c3)C2=O)cc1 96585813 QCBHAWLEZVMIGI-HMAPJEAMSA-N 516.506 4.878 10 40 KJCB CCC1=NN2C(=N)/C(=C/c3cc(I)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 100642090 QPKVLPIYBBQRCU-HPFDFQMNSA-N 576.416 4.787 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(N(C)C4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1OC 100837324 AVMWCGNGADDOCP-MOHJPFBDSA-N 564.733 4.925 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 103853310 NMVQCHKCDNXOOM-LDADJPATSA-N 556.369 4.907 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 408776851 ZXGMOZAVMHYESJ-ONUIUJJFSA-N 574.605 4.776 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1ccccc1Br 408874132 YZRQZTKXODDYRO-PDGQHHTCSA-N 509.331 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408946521 YUSVBBISRLGKBO-RGVLZGJSSA-N 520.925 4.601 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 408990849 WVAZTXHSJGVWPA-KEPJHFNWSA-N 571.699 4.531 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 409042696 ODFSRIQIJYGNRN-YRNVUSSQSA-N 514.557 4.540 10 40 KJCB CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 409043073 PNQCBVYQPPAYEO-XYOKQWHBSA-N 528.584 4.930 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1 409067199 PPIHLMRNTYCXLS-HYARGMPZSA-N 520.925 4.682 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(Cl)cc1 409069954 YUHGJVKMMHANEK-YBFXNURJSA-N 650.847 4.844 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409366120 YEHDAIIBUKILNM-JMIUGGIZSA-N 627.379 4.579 10 40 KJCB CC(C)(C)NC(=O)[C@@H](c1ccc(N2CCOCC2)cc1)N(C(=O)Cn1nnc2ccccc21)c1cnc2ccccc2c1 6074560 JEJGRQWLCYCPPO-WJOKGBTCSA-N 577.689 4.505 10 40 KJCB COC(=O)c1cc(OC)c(OC)cc1N/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100802392 NQANERDPGLODQQ-OBGWFSINSA-N 514.563 4.847 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 111494347 USQIFPQBYOYCMU-YNMQQHPQSA-N 586.670 4.513 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 164388759 XOYMPUUJTIVDQQ-ZSOIEALJSA-N 664.365 4.879 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F 408934460 AWNRINXFEZHIAN-XDHOZWIPSA-N 539.313 4.532 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1 408934699 BOLPHHSEBOWKKQ-VXLYETTFSA-N 541.343 4.946 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2=O)=N1 409036051 RGQWPBOSJLOORX-BIWBSIMWSA-N 611.120 4.749 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)cc1OC 409142368 JYSOCEIUXHYTMW-CXUHLZMHSA-N 507.370 4.852 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)c(Cl)c3)C2=O)cc1OC 409145443 IGQYOELJWRQSMR-KGENOOAVSA-N 585.034 4.567 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 409371219 FEEHQFQJZHJNGT-LICLKQGHSA-N 562.747 4.779 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 17995286 BNEGXOKJAOSICZ-GIWBLDEGSA-N 564.377 4.865 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 32109524 NYAXKKAXFZCHPL-QNGOZBTKSA-N 517.494 4.876 10 40 KJCB CS(=O)(=O)c1cccc2c1CCCN2Cc1c(O)c(C(=O)NCc2ccccc2)cc2ccccc12 95464598 MZXHHUFXTBGGFF-UHFFFAOYSA-N 500.620 4.832 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c3ccc(C)cc32)S1 100112449 UGTSZGBHVOWGLY-HNNXBMFYSA-N 622.746 4.881 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1F 100323294 LMVDEZTXHQRCEU-SXGWCWSVSA-N 515.369 4.849 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 100414748 ISIBLZKQBMQDTC-NJYVYQBISA-N 581.216 4.907 10 40 KJCB CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C(=O)OCCN(C)C)cc2)C1=O)=C\c1ccccc1 101007779 SFCHJDNGJXFQLD-SQYPFMSLSA-N 537.707 4.971 10 40 KJCB CN1C(=O)C(=Cc2cc(I)c(OCc3ccc(Cl)cc3)c(I)c2)C(=O)N(C)C1=S 164430295 IFFJZRXFPJWVOT-UHFFFAOYSA-N 652.679 4.727 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C 223466320 RQLPMPKBVHSDTI-FTJBHMTQSA-N 514.611 4.974 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(C)ccc4C)c3)CC2)cc1 408546952 HTYUQZIIKBLALM-UHFFFAOYSA-N 514.047 4.729 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 408984861 NEHDHFHHSGVWKX-QPJBPQEWSA-N 587.723 4.626 10 40 KJCB CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC 409035724 TZOQLCCGNWFNLD-VZUCSPMQSA-N 563.273 4.901 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 409381215 SJGPOSMZXXBCRS-XSFVSMFZSA-N 582.382 4.671 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCc4ccccc4C3)nc12 2335435 XWGUPIKNZZEJPU-HMAPJEAMSA-N 514.632 4.560 10 40 KJCB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 9427660 XPKZWFVGMLZEOJ-JIMJEQGWSA-N 508.574 4.959 10 40 KJCB CC(C)C[C@]1(C(=O)O)N[C@@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3ccc(I)cc3)C(=O)[C@@H]21 100121834 PQHOEFVMQZJKPK-FXKZBUDASA-N 603.240 4.623 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 100870074 OOPMLYGDZQNLLJ-ATJXCDBQSA-N 533.723 4.803 10 40 KJCB COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 101090912 JTGYWSPVBIFUCF-VHLAIDERSA-N 517.954 4.630 10 40 KJCB O=C1/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 101115328 XRAXPXCHTIQRLO-HAHDFKILSA-N 528.634 4.798 10 40 KJCB Cc1cc(Br)c(NC(=O)N/C=C2\C(=O)NC(=O)N(c3cc(C)c(Br)cc3C)C2=O)cc1C 408528914 GHWHRXLHWGLYLH-NTEUORMPSA-N 564.234 4.734 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccccc3)C2=O)cc1 408536318 QUQWJIRZCXCOQD-CMYKEMCISA-N 547.361 4.743 10 40 KJCB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)c1 408827333 JDOQMYQQPLSFAI-WOSHRIRTSA-N 618.715 4.988 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 409012992 SEDWMUVVACCVAV-FYJGNVAPSA-N 568.413 4.714 10 40 KJCB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1 409023920 NFGRDFIWMIXABS-WSDLNYQXSA-N 507.388 4.696 10 40 KJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OCC(=O)O 409050812 ADTOLUTWZJACGV-LSCVHKIXSA-N 508.415 4.631 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409070287 FHMNMWKSFWNCBT-VCHYOVAHSA-N 567.790 4.787 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409072530 VURRIGUUSHNXCE-CPNJWEJPSA-N 561.797 4.537 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 409256865 MOIWYBXQGYAQLJ-ODLFYWEKSA-N 629.261 4.910 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409266055 JJONALBPILLKFB-MTJSOVHGSA-N 578.419 4.758 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 103857201 YKQOPPJLUAWLNR-UHFFFAOYSA-N 523.836 4.679 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103863507 WIDFFMBDHMEICU-ZYSRDMNZSA-N 618.553 4.773 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)ccc1OC 225308735 RMFYXTWEWCFLGF-URLMMPGGSA-N 557.676 4.960 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 408807836 HXMILPNNQTWPNE-BUVRLJJBSA-N 500.551 4.956 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1 408818448 VLLUQUBAORIFCR-VXLYETTFSA-N 507.886 4.502 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408866072 FLULAPOMGZZVKO-PDGQHHTCSA-N 540.301 4.742 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Br)C2=O)cc1 408887852 UJUZVKJDNQXNGW-FYJGNVAPSA-N 537.366 4.712 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2Br)c1 408889423 GPTKWRPDZQDGHD-MOSHPQCFSA-N 523.408 4.868 10 40 KJCB CCCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 408896721 HPBGBCIZQCTNMX-DHDCSXOGSA-N 552.219 4.984 10 40 KJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408967758 UPBRRAXEQMOYQI-VCHYOVAHSA-N 512.950 4.935 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 409021165 YMTSGDBUZOXDOJ-UHFFFAOYSA-N 562.519 4.584 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 409365618 VAXWAOPUEIHKSD-CIAFOILYSA-N 567.957 4.570 10 40 KJCB CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 2274054 ZRPGTTSPJMYSLQ-XPWALMASSA-N 530.374 4.707 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1F 97961734 AZQHJCZRZRBJCQ-WOJGMQOQSA-N 531.378 4.970 10 40 KJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 103919180 QTGCZBHKRLEFNH-JLPGSUDCSA-N 541.033 4.828 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 105499999 IPBWSGXNQLDZIU-LRUGRNCASA-N 571.699 4.512 10 40 KJCB Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 106759281 LSFSJEAOUCJRKH-ONUIUJJFSA-N 548.621 4.954 10 40 KJCB COC(=O)c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 408542856 LJLIWWVIVSSZID-MFKUBSTISA-N 507.546 4.759 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408740134 IRFDXKKWIJWPJA-UDWIEESQSA-N 552.337 4.611 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)cc1 408800012 MSOHEHHBTXCLNG-UDWIEESQSA-N 552.337 4.611 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 408887545 RLGLLOLLOKRFNT-PDGQHHTCSA-N 511.372 4.999 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408934418 AMMRXSXEGBSGMK-YBFXNURJSA-N 540.301 4.742 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccccc1F 408935727 DNSSMMFUKRBHCK-VCHYOVAHSA-N 570.327 4.750 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)c(C)n1-c1ccccc1F 409009622 GZUXVHGJYQMQHS-KOEQRZSOSA-N 518.614 4.618 10 40 KJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1 409228784 FCAMTXJVTSCCTO-WSDLNYQXSA-N 526.540 4.903 10 40 KJCB CN1C(=O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8777606 OKNFQBAHVDSWMY-BWAHOGKJSA-N 578.090 4.912 10 40 KJCB COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 8858208 CYVCHYMQSZFOPN-XLNRJJMWSA-N 501.626 4.999 10 40 KJCB COc1ccccc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 13670748 PMTRMRDOUYKZGZ-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 97964610 ISMJMDGQBSBYGN-PUHYCJLASA-N 526.387 4.983 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 100618611 SKOCSLGNLVPBBW-YNMQQHPQSA-N 541.673 4.523 10 40 KJCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)cc1OCC(C)C 108449532 OWILNUHFERVHRD-INIZCTEOSA-N 534.517 4.767 10 40 KJCB biogenic COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408901427 XYEZOHSLBNANQC-CIAFOILYSA-N 533.968 4.649 10 40 KJCB Cc1cccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025010 OWRFZCWKSLEELE-LJAQVGFWSA-N 515.654 4.910 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 97962543 CCSFPGWRUILSOS-GVMLUORFSA-N 576.074 4.557 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 100762803 WZDSPTJESMJLKD-QRVIBDJDSA-N 542.642 4.745 10 40 KJCB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(Br)cc1OCc1ccc(Cl)cc1 101014347 PGMPERQTAZSKME-JAIQZWGSSA-N 523.836 4.993 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 408898295 QCASTUKVRICXGZ-BKUYFWCQSA-N 536.338 4.911 10 40 KJCB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)cc1 1450912 VRBNMTMGBZTCJY-JCMHNJIXSA-N 504.589 4.769 10 40 KJCB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 2418153 NCFSMVJECPZOMJ-JWGURIENSA-N 524.693 4.545 10 40 KJCB CCN(CC)c1ccc(C2N(S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 10078498 SIARPFMLPPZZDX-UHFFFAOYSA-N 527.712 4.544 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1C 59336695 HJZYFHBDQVRYKA-UDWIEESQSA-N 502.439 4.579 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)c(Br)o2)C(=O)NC1=S 103844002 OKOHVNZADAMJFS-BJMVGYQFSA-N 549.038 4.707 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1 408866082 GGOSALNJVBBDRA-DEDYPNTBSA-N 506.312 4.615 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1O[C@H](C)CC 408901698 AINIUJNDZWKBEM-VGSSETLESA-N 505.340 4.831 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409107399 PKMPLGUQUOZFNP-MDWZMJQESA-N 509.809 4.650 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 409107784 TUCKQFTXYBWBDX-XQNWCSQWSA-N 603.144 4.863 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409363715 MSWGKIFHRHTZKK-NDENLUEZSA-N 598.450 4.836 10 40 KJCB CC(=O)N[C@@H](Oc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl 26967247 HBIJDJVDVONRBN-KAKTVLCNSA-N 505.832 4.892 10 40 KJCB Cc1ccc2c(c1)/C(=C/c1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2C 100022123 JFZVZMWQZFHAMS-ZHZULCJRSA-N 533.369 4.875 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H](c1cccc(Cl)c1)OC21C(=O)c2ccccc2C1=O 100414780 XIGIYRWVROLPPH-NJYVYQBISA-N 583.765 4.640 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(I)c1 103851884 REEGUJLYWSOMPX-LFIBNONCSA-N 576.362 4.980 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 225442639 BQATWOFSESVSED-WUFINQPMSA-N 605.742 4.833 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)c(=O)n32)cc1OCC 408935749 NNGWVIVRXVCYRF-QICARQTCSA-N 592.117 4.876 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 408980578 FSPCVXHEWJISMM-IPAKXIGBSA-N 569.683 4.551 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409075004 WKQUUCOOXLNPCF-XDHOZWIPSA-N 561.797 4.537 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409080181 MJWDDQHZCBQCMP-LDADJPATSA-N 606.248 4.646 10 40 KJCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 409260002 IZOSPJMBPDBLAL-PDGQHHTCSA-N 524.360 4.986 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccccc1Cl 409349766 WDMMIDXMJMOEHL-PXNMLYILSA-N 528.833 4.976 10 40 KJCB COC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 2120721 QXJGSFHPCWZNOM-PRLWALMFSA-N 569.683 4.637 10 40 KJCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C2=O)c1 9012369 NOXSTAGWPKBMMM-ZVHZXABRSA-N 515.522 4.748 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 97949763 ZRPGTTSPJMYSLQ-VJBWXMMDSA-N 530.374 4.707 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C)c(C)c1 100269631 IJLWTVUEFARHGJ-WQRHYEAKSA-N 541.432 4.863 10 40 KJCB COc1ccc(N(CC(=O)NCc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 13675295 OBMMPGBRWSVFSE-UHFFFAOYSA-N 528.074 4.769 10 40 KJCB Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100414132 OIZCASAOMXEDTK-XPWALMASSA-N 530.374 4.761 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)C1(O[C@H]2c2ccc(I)cc2)C(=O)c2ccccc2C1=O 100517606 GEJXYVDYHQRDAH-BDTNDASRSA-N 597.792 4.635 10 40 KJCB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1C 223188378 OVGROXLZIQAZDW-NSOVKSMOSA-N 503.716 4.801 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 408776599 WTAKKZZDOMDXKT-LFVJCYFKSA-N 565.493 4.525 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1 408947894 DMBDWYNLRBHPNU-VXLYETTFSA-N 565.376 4.822 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409259039 YYRZWXAPDASVJD-NHDPSOOVSA-N 592.992 4.948 10 40 KJCB Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C 409259092 ZPNLLUSULKJDDS-LPYMAVHISA-N 517.969 4.949 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc(Cl)cc1 409337647 XBMRCRHJFHKYNW-PXNMLYILSA-N 575.833 4.818 10 40 KJCB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1 409399574 JPCSNKOIUANCFE-ODLFYWEKSA-N 540.801 4.890 10 40 KJCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1 101002545 HJIWJPJIXUPBFU-BOPFTXTBSA-N 524.405 4.530 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 101084037 KUDJPSMQEGZNKQ-GQHYPKHLSA-N 527.606 4.832 10 40 KJCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O 223176269 FVYQIWQMNNJNFG-UIOOFZCWSA-N 526.106 4.543 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)sc2c1CCCC2 408773595 RSDSWIXWDPCCBP-XSFVSMFZSA-N 519.648 4.652 10 40 KJCB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 408787049 PZKRSLCWZKMJFG-YBFXNURJSA-N 512.349 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1cccc(F)c1 408889685 IYYPOXJOCBPTMZ-DJKKODMXSA-N 525.876 4.641 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409005253 TWWSERDGBSFZQM-ZVHZXABRSA-N 592.446 4.791 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1 409042405 MTTHWNNHWNKAND-UDWIEESQSA-N 524.360 4.986 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)C1=O 409043340 FAWFHNQDCWFTMJ-UDWIEESQSA-N 524.360 4.986 10 40 KJCB Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 409129441 JQPBAYFYYRTCAG-YTLMXASBSA-N 512.657 4.983 10 40 KJCB CCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1 2165588 YWUXNHFBUBJZLE-BOPFTXTBSA-N 524.405 4.739 10 40 KJCB Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 2377385 BKIBMKXJLXUCRN-XLNRJJMWSA-N 504.681 4.827 10 40 KJCB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 13670945 UBVNUCSFSLIGNP-UHFFFAOYSA-N 507.656 4.587 10 40 KJCB Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(Br)cc2)cc1 113624182 DJYHSRFGPIHKQO-UHFFFAOYSA-N 542.499 4.869 10 40 KJCB COc1cc(N2N=C(C)/C(=C/Nc3cc4c(cc3N3CCN(c5ccccc5)CC3)n(C)c(=O)n4C)C2=O)ccc1Cl 408535905 UNWNCWBMKJORDC-NMWGTECJSA-N 586.096 4.584 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409087641 CRMRIHZGGOJLGD-ZDLGFXPLSA-N 508.830 4.615 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 409132713 LLBDDCCVVMEDMX-TXUMJUCDSA-N 533.719 4.943 10 40 KJCB Cc1ccc2c(c1NC(=O)CC(=O)Nc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O 4265773 MMJMLRXZJFGGMT-UHFFFAOYSA-N 542.547 4.822 10 40 KJCB biogenic COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 150441262 MWZQUPMGAJPSAL-HEOCGEATSA-N 650.398 4.557 10 40 KJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223188813 QYRPTELKTZAJCM-XTEPFMGCSA-N 503.716 4.801 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 225412375 OFPUWHRBKBTJDV-CLJLJLNGSA-N 533.679 4.738 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(OC)c4)C3=O)c2C)sc2c1CCCC2 408743382 SMHCUQPORITQSX-HMAPJEAMSA-N 547.633 4.886 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 408800070 KBPUTEYECDYMNN-ZGOFBEGVSA-N 529.637 4.653 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 408857891 PKEPIHCGZUTOMI-USDTVRPUSA-N 599.709 4.691 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1O[C@@H](C)CC 408903739 YCLTZJKRVVVVCA-VZWMTCDZSA-N 505.340 4.831 10 40 KJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1 408915836 ZWHZIDBJRXXVFO-VXLYETTFSA-N 539.313 4.532 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2=O)=N1 409037510 NVFPIULYJKFGNI-BIWBSIMWSA-N 655.571 4.858 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OCC 409193373 JSIDOJLAYGMQLA-LFVJCYFKSA-N 608.669 4.621 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409230776 GJTWIXBAUOTLOP-BRLDDBHUSA-N 563.495 4.855 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)C2=O)cc1OC 409249384 HSPVPQAIESDYGT-BKUYFWCQSA-N 594.020 4.830 10 40 KJCB Cc1cccc(NC(=O)COc2c(Br)cc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 409262997 GNVZTJUNPNKXLK-JAIQZWGSSA-N 629.261 4.910 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 409362515 HDPMJTSWAQNTQU-ZDLGFXPLSA-N 558.349 4.825 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C2=O)cc1 9076024 VMHMWKHWQDMSIZ-MOHJPFBDSA-N 509.562 4.958 10 40 KJCB CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1cc(Cl)c(O[C@H](C)C(=O)OC)c(OCC)c1 13914218 UILRHLJAIOHFTQ-MXDDHBLUSA-N 514.962 4.964 10 40 KJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCN(C(=O)CCN4C(=O)/C(=C/c5ccc(C)cc5)SC4=S)CC3)C2=O)cc1 97966493 LMLMNWZJYSJRDL-DQIQZUARSA-N 664.900 4.857 10 40 KJCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 137470636 WHVLQESUSBYHKI-ZVHZXABRSA-N 509.547 4.960 10 40 KJCB CN1C(=O)C(=Cc2cc(Br)c(OCc3ccc(I)cc3)c(I)c2)C(=O)N(C)C1=S 164428704 BQUUZSMOHPWNPH-UHFFFAOYSA-N 697.130 4.836 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 408769028 LDSKIICISZCYFR-DDBFQISPSA-N 582.726 4.737 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC 408819218 ZVLMXDLXDPZMMM-NTEUORMPSA-N 554.768 4.717 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408829506 OLSOOWJCFIVUCU-PKYOQBLNSA-N 600.697 4.901 10 40 KJCB O=C1/C(=C\c2cc(Br)c(I)o2)C(C(F)(F)F)=NN1c1ccccc1 408971469 OYRJDYOEWZNZEX-POHAHGRESA-N 511.035 4.995 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 409068225 KSIVJERRMIAERF-ZJOBTTRRSA-N 579.722 4.853 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409088751 XZZDUJNFZCYLPT-CXUHLZMHSA-N 538.856 4.624 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21)NCc1ccco1 409135096 PSOHAHPWALVTMR-KSPQIECSSA-N 560.495 4.693 10 40 KJCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409162705 YSHILMFXACZUFA-UXHLAJHPSA-N 688.763 4.970 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409247446 CGQPBNBIHABJIA-QZPXRHMKSA-N 537.034 4.885 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 409254441 XKANFMBTLZWXOX-MOSHPQCFSA-N 641.487 4.847 10 40 KJCB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 3293948 XCIDCRMKWUMENK-UHFFFAOYSA-N 518.429 4.755 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1OC 8819939 ORMOASMVJPABMD-STZFKDTASA-N 514.625 4.802 10 40 KJCB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 97982442 ALUKJXBKPGVJKZ-UHFFFAOYSA-N 577.688 4.621 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)ccc1OC 225296990 JSELTALPESXLGB-URLMMPGGSA-N 585.686 4.958 10 40 KJCB COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1\C(=O)N(c2ccc(Br)c(C)c2C)N=C1C 408535657 UDKZUGIBLLEAOL-HKWRFOASSA-N 561.502 4.968 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1C 408773187 PUPNBBGWYJDXAA-LPYMAVHISA-N 539.373 4.982 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(I)c4)c3C)C2=O)cc1 408773435 REEDJFOUYIZRFE-CIAFOILYSA-N 525.346 4.674 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408777991 NPXXXYFWZRGGEY-COVVZGLNSA-N 545.419 4.545 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 409253381 BBQBIBYGWUPRLV-HMAPJEAMSA-N 503.942 4.641 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC 409342405 DNTMMQGSJUAYDL-XDHOZWIPSA-N 598.484 4.714 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 409346825 OKGUNAWMSZWQEM-NVMNQCDNSA-N 507.431 4.581 10 40 KJCB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc2Cl)c(C)c1 13669806 YFMMQTHCNJITIJ-UHFFFAOYSA-N 514.047 4.524 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 103851923 NNFYIZTVHQAVEZ-GZTJUZNOSA-N 602.381 4.539 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1NS(C)(=O)=O 225484350 DMJDBLZTBYNQKL-NSOVKSMOSA-N 622.729 4.963 10 40 KJCB Cc1cccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 408530303 DXOGXXJMGFEPSQ-ZHZULCJRSA-N 505.324 4.643 10 40 KJCB Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408594531 TXPYUEKVBMGSGZ-LSHDLFTRSA-N 514.365 4.957 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)c1 408966255 KXHOYMISOVMECY-BUVRLJJBSA-N 501.608 4.719 10 40 KJCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 409374485 QXKPFDFKQJMFOL-YBFXNURJSA-N 515.747 4.937 10 40 KJCB CC1(C)C=C(CSc2nc3ccccc3[nH]2)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O 1554503310 ZAZZFFZKIMLHFY-ZPHPHTNESA-N 508.625 4.876 10 40 KJCB Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 26533715 RQFLAFDWEBPTED-KIKXOIQRSA-N 518.708 4.929 10 40 KJCB CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(OCC(=O)NC4CCCCC4)c(OCC)c3)C2=O)cc1 36612305 ZOYZYXDFOLWBBM-KOEQRZSOSA-N 533.625 4.896 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 103610602 MTELMTCZTUAPFS-QVOHLBINSA-N 538.648 4.613 10 40 KJCB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1cccc(S(=O)(=O)NCCc2ccccc2)c1 111343327 CLYJCNKAUUSNMP-XHWLHZJSSA-N 610.501 4.636 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 224190416 SXFVKVFDNXUZIF-UHFFFAOYSA-N 577.488 4.649 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC 225290056 PJHGHPZBTDHJRE-VSGBNLITSA-N 542.665 4.655 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccccc1F 408895051 LQNMCSIXMUQYHW-VCHYOVAHSA-N 541.329 4.548 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCCC)c(OC)c3)C2=O)cc1 408900786 VADDZZOXXTUGEF-PDGQHHTCSA-N 564.376 4.544 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 409046718 LPHRKQOSLOEUPP-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(=O)Nc1ccccc1 409048581 SHAIUIODTRDORZ-XSFVSMFZSA-N 533.968 4.731 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(Br)c3)C2=O)cc1 409068436 GKBZLTOBZJHUTB-DEDYPNTBSA-N 605.850 4.935 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12 409137721 YQQDSDHOVKMYKL-AHRNPLQNSA-N 511.713 4.985 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1F 409376645 CCZWQMHFWXOSHI-RQZCQDPDSA-N 602.800 4.934 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 9310960 ZJXDMWKQCKSLKY-YBFXNURJSA-N 507.886 4.502 10 40 KJCB CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 11616816 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COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 13774974 SNMNLARYWGQSAN-BKUYFWCQSA-N 515.909 4.652 10 40 KJCB COc1ccc(N2CCN([C@H](c3ccccc3F)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1 22852161 AAZOOXNHPBGKLL-JOCHJYFZSA-N 505.575 4.816 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@H]2CCCO2)c2ccc(N(C)C)cc2)c1C 100329987 KLBNZWDPOHAENY-OFSOJUDTSA-N 602.139 4.746 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C1=O 101509974 QYNXQFBOJVPPCZ-LDADJPATSA-N 529.188 4.977 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 105497106 YJCNKPNNKOQKTC-ZJTZAHLKSA-N 592.117 4.876 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408894675 KHKJLSNVXKGHGN-KOEQRZSOSA-N 526.570 4.891 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408916901 IIPNMJOLYFNALC-ODLFYWEKSA-N 556.369 4.907 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(CC)cc5)c4C)c(=O)n32)cc1OCC 408943224 YNFKVSXYIFZXSL-IUBRTPTASA-N 585.726 4.785 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 409011348 HHJJLBDLPNDNLD-BUVRLJJBSA-N 601.475 4.797 10 40 KJCB O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)ccc1Cl 409017457 WTNUDLGRYZNNCT-HAHDFKILSA-N 552.008 4.683 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409078390 CEKREGBYIPZVGB-WQRHYEAKSA-N 513.384 4.778 10 40 KJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@@H]1c1ccc(N(C)C)cc1 409337330 SOROQZRQTJALJN-HSZRJFAPSA-N 501.052 4.924 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1 409352676 XWSWNKOIWZJZPW-HMAPJEAMSA-N 521.576 4.729 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccccc4F)c3)C2=O)cc1OCC 409371651 XPSUAQHDXFKCLX-CJLVFECKSA-N 561.566 4.697 10 40 KJCB COCCCNC(=O)c1c(NS(=O)(=O)c2cc(Br)ccc2Br)sc2c1CCCC2 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4.993 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408822383 BCLAUDKSYOYJFN-KEPJHFNWSA-N 600.697 4.901 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 408880234 GSCJHDWBQJBHAM-RGVLZGJSSA-N 525.330 4.560 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@H]1c1ccc(C)o1 408980965 GWXIREYSTSFGBY-ITIZVALFSA-N 536.053 4.761 10 40 KJCB CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)Nc3ccccc3)cc2Br)SC1=S 409384713 FLYNOCWQTIYSPO-ZDLGFXPLSA-N 507.431 4.696 10 40 KJCB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1NS(=O)(=O)c1cccc2nsnc12 2060762 NCOHJHZSYMEWID-UHFFFAOYSA-N 516.626 4.545 10 40 KJCB CS(=O)(=O)c1ccc2c(c1)CCCN2Cc1c(O)c(C(=O)NCc2ccccc2)cc2ccccc12 95464597 MBEKJPORTQEUKF-UHFFFAOYSA-N 500.620 4.832 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100230331 OJAXKKGFSUGULS-FYJGNVAPSA-N 615.458 4.599 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)cc1 102860676 SWBOOCXVDUTPMY-DSNGMDLFSA-N 519.985 4.634 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 103610597 MTELMTCZTUAPFS-QWYUUOJISA-N 538.648 4.613 10 40 KJCB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCc1ccccc1 206826234 GLZZVCKCUSMTRY-GZTJUZNOSA-N 508.415 4.713 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408803653 RQIPPINMHJZMDN-CIAFOILYSA-N 521.913 4.892 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1 408808435 PONSBEZLMQZHFD-LPYMAVHISA-N 501.495 4.547 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409086022 PSTLEXLCKBSRSS-CCVBWGSMSA-N 644.588 4.520 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12 409102690 SYQZMXHDKIDXST-UOFRAYPZSA-N 580.754 4.866 10 40 KJCB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O 409192312 CFZLVYVKGOJJKA-HMMYKYKNSA-N 500.979 4.978 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409226282 ULKKUUYTWRBBTO-RGVLZGJSSA-N 540.359 4.686 10 40 KJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409233612 GULKTYHKJKCEHL-LPYMAVHISA-N 506.990 4.850 10 40 KJCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(Br)ccc3Br)o2)SC1=S 9310571 IQWIXMAXPFMGLA-AWNIVKPZSA-N 503.193 4.757 10 40 KJCB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(Cc2ccccc2)CC1 59488687 JOVUISLTIAWDDM-GDLZYMKVSA-N 520.597 4.716 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 103850542 DPPYLVQKVWAIRN-RGVLZGJSSA-N 583.366 4.931 10 40 KJCB COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408529813 DFNKHYIGWABKAT-MOSHPQCFSA-N 510.424 4.600 10 40 KJCB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408780374 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KJCB O=C1[C@@H]2[C@H](c3cccc(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1I 100414775 XIGIYRWVROLPPH-ACRUOGEOSA-N 583.765 4.640 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 103849692 NEBAILIVJDURFY-YBFXNURJSA-N 560.294 4.815 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 103850895 GDXUPXXQKUAFNS-UDWIEESQSA-N 540.301 4.742 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 103852116 UJNXSWHVXPYDEA-LZYBPNLTSA-N 585.407 4.736 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 408875568 KDGYFZIFCZIEJJ-UNOMPAQXSA-N 523.408 4.868 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(I)c1OCC(=O)O 408956859 YUMMDBYOAKSBCL-LSFURLLWSA-N 656.473 4.897 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 409014483 PPEYEDRJWOJHNS-DEDYPNTBSA-N 554.386 4.719 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 409185815 QNXIIVKHWPOEQO-HMAPJEAMSA-N 546.523 4.654 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 409225202 JUVVNIPIPRZIQC-KEBDBYFISA-N 514.485 4.852 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(I)c1O 409260728 VKJOTACGTUBTTE-BOPFTXTBSA-N 526.421 4.867 10 40 KJCB COc1ccc(-c2noc(CCn3c4c(c5ccc(OC)c(OC)c5c3=O)C(=O)c3ccccc3-4)n2)cc1 604405793 VTEWSASPJZUEKN-UHFFFAOYSA-N 509.518 4.531 10 40 KJCB biogenic Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 9281897 XOZKLOLELHVESH-VHLAIDERSA-N 501.955 4.930 10 40 KJCB COc1ccc(N2N=C(C)/C(=C\c3c(O)n(-c4ccccc4)c(=S)n(-c4ccccc4)c3=O)C2=O)cc1 16607596 QNXQIKDUPZXLLJ-HAVVHWLPSA-N 510.575 4.878 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c([N+](=O)[O-])c1 223502755 REURIPXURXEMRD-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)c1 225442258 PCDQLRKSRVIZHC-IZLXSDGUSA-N 605.742 4.833 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C)cc1 408805406 JVZHHORDQXLOJX-UDWIEESQSA-N 568.367 4.854 10 40 KJCB CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 13894867 JQMUGECUYOMSQP-LDADJPATSA-N 510.431 4.803 10 40 KJCB C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)C1 101066081 QNSDAMZTTPUYEY-JYBCESJWSA-N 538.720 4.791 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)ccc1OC 225308579 OEMRHMPBQXOPBR-WUFINQPMSA-N 527.650 4.951 10 40 KJCB S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(N2CCCCC2)cc(N2CCN(c3ccccc3)CC2)n1 225951966 FRRPQUMJYHLSKZ-UHFFFAOYSA-N 556.784 4.880 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)c(Cl)c1 408551889 NGGDTGHEXFJSJK-UNOMPAQXSA-N 510.333 4.677 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408812923 XPGWKALKOLCFEW-RGVLZGJSSA-N 566.364 4.920 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408890377 SARYHSOARAVLHV-CIAFOILYSA-N 599.459 4.817 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409042987 OYORUDWWJZODDH-WSDLNYQXSA-N 639.446 4.909 10 40 KJCB CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O 28712570 HUADITLKOCMHSB-PGTZCRIKSA-N 672.737 4.549 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 97957826 RTHOPBLQLVSONN-BOPFTXTBSA-N 528.471 4.755 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OCC 408738252 JNBCQTMPUUVXJD-OXWVMCNISA-N 541.673 4.605 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)cc2)cc1 408899581 PHQJRCCHBAQVBN-STZFKDTASA-N 555.406 4.500 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OCC)c3)C2=O)cc1OC 409131148 JYBXJAJFADQTFS-WOJGMQOQSA-N 561.429 4.706 10 40 KJCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 409242963 XBPNYYIOAROFOG-LDADJPATSA-N 567.330 4.932 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)ccc1OCC(=O)NCc1ccccc1 409252931 UMEXWGRLBLMMDU-UQQQWYQISA-N 518.660 4.834 10 40 KJCB Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 9462799 SIJKYZPKAMOCCD-ZHZULCJRSA-N 500.690 4.764 10 40 KJCB COc1ccc(OC)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025123 VCDPXQGWWFFPBZ-NDEPHWFRSA-N 533.625 4.580 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)cc1 18180023 BDLFQAUUHXLWPF-FDFHNCONSA-N 505.448 4.709 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 26503365 RABMGZANKJBSTK-LODLPNETSA-N 504.681 4.887 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)cc1 150435012 JZFLFMRBHDFOBN-MTJSOVHGSA-N 643.390 4.852 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C(=O)NC2=S)cc1 408540602 AGOLOVUXLHKSKQ-NLRVBDNBSA-N 585.682 4.740 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC 408744425 ZQMGVCGSNNDGSL-RIYZIHGNSA-N 554.260 4.759 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)ccc1Br 408757551 ZTLNTGALWCCOMI-NDENLUEZSA-N 523.343 4.740 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c(OC)cc1Cl 408823501 FOEMUAQYVZSWRM-WOJGMQOQSA-N 510.905 4.742 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408835282 XAKYYUZWOWDNJO-VXLYETTFSA-N 567.938 4.519 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408914982 SSSPUOZJLZTHAR-DJKKODMXSA-N 617.327 4.593 10 40 KJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 408999313 UQGZGGRCXQCCON-KQWNVCNZSA-N 516.525 4.729 10 40 KJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N(c2ccccc2)C1=S 409021519 LMRQDBKRLFEHSJ-JJIBRWJFSA-N 501.608 4.834 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 409091988 SBUVDTPNVYHFKM-BOPFTXTBSA-N 522.857 4.924 10 40 KJCB COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C(=O)NC1=S 409173120 KCHLRXIMKDVGQE-UYRXBGFRSA-N 557.413 4.539 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 409253625 UUGMDVLICGMUGI-NDENLUEZSA-N 670.416 4.590 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409263011 GOMYNKYGUUDKKP-QRVIBDJDSA-N 606.031 4.826 10 40 KJCB COc1ccc(CCN(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC2CCCCC2)c2ccc(N(C)C)cc2)cc1OC 6135839 PXVCGJOQBRJKSS-XIFFEERXSA-N 598.748 4.776 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Br 223184766 SVGRSDRRVYGCKK-FTJBHMTQSA-N 554.558 4.946 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 225386198 KKZVGJVXTVDESW-XZWHSSHBSA-N 602.786 4.874 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F 408897493 XIJXVNOQECYBSP-WQRHYEAKSA-N 588.398 4.849 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC)cc1 409064510 PRSOOJBVQYABSQ-HDFSHUSISA-N 555.700 4.913 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409255702 ILZRIYLRAGPGFF-HAHDFKILSA-N 527.577 4.694 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)cc(Cl)c4)C(=O)[C@H]23)cc1 18180050 ABZJBTHHXFRTBH-FDFHNCONSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 100321794 BDVFSIHPXLSVLC-HYARGMPZSA-N 521.576 4.729 10 40 KJCB CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@@H]23)cc1 100494838 CGXVCUKBELAARW-XPWALMASSA-N 577.374 4.549 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O 225416915 XPFPLYRFBKUXLP-CONSDPRKSA-N 632.812 4.883 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 408744116 YSZYXFHNDIAYFJ-GZTJUZNOSA-N 542.367 4.766 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409065238 IKKCUJUZYSTQIC-VCHYOVAHSA-N 591.823 4.545 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC 409100323 ULXJUGPWXGTOBK-MDWZMJQESA-N 509.809 4.650 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409241473 XTKVLQFPVAFABC-YVLHZVERSA-N 585.885 4.805 10 40 KJCB CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@H]1c1ccc(N(C)C)cc1 409337333 SOROQZRQTJALJN-QHCPKHFHSA-N 501.052 4.924 10 40 KJCB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 4211186 KICAGFVEUTVOFG-BHIFYINESA-N 566.791 4.806 10 40 KJCB [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Nc2ccc(-c3ccc(NS(=O)(=O)c4cccc5c4C=CC(=[N+]=[N-])C5=O)cc3)cc2)C1=O 150388346 QVIFZKFOCUMTRT-UHFFFAOYSA-N 648.682 4.716 10 40 KJCB CCC(=O)Oc1c(Br)cc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O 408528022 APLXDMSSRKLMKL-ZROIWOOFSA-N 536.176 4.502 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 408769029 LDSKIICISZCYFR-WWWKDLBZSA-N 582.726 4.737 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(Br)o1 408949524 BIDIFGUEXXBQTB-XBXARRHUSA-N 508.937 4.778 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(C)o1 408980966 GWXIREYSTSFGBY-YXDQGSNCSA-N 536.053 4.761 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OS(=O)(=O)c4ccc(Cl)cc4)c3)C2=O)cc1OCC 409190735 QHJYKXXUHBDGTP-JLPGSUDCSA-N 599.061 4.957 10 40 KJCB O=C(COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccccc1Cl 409271109 JVYNXTAMTYCAOE-BOPFTXTBSA-N 599.781 4.695 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1=O 409272476 ZCNXTHOGMOOJQA-LPYMAVHISA-N 517.969 4.949 10 40 KJCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 33353620 DMEOCRWSVRSBBJ-OYKKKHCWSA-N 541.025 4.593 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 101125797 KOKVMJOEUZKMKX-PSKWXLMSSA-N 523.983 4.692 10 40 KJCB CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(I)cc4)C(=O)N=C3O)ccc21 103116221 URMCCLQEOBOGHP-RGEXLXHISA-N 515.351 4.961 10 40 KJCB O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 103859819 HWYMWYRDNUGWHM-GDNBJRDFSA-N 516.691 4.937 10 40 KJCB CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1cccc(S(=O)(=O)NCCc2ccccc2)c1 111343322 CLYJCNKAUUSNMP-IFQZSBTPSA-N 610.501 4.636 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)cc1 408769605 WTGQCYPPDFKNKA-FYJGNVAPSA-N 557.413 4.539 10 40 KJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 409017519 XBWXVHGBAPZREI-DEDYPNTBSA-N 554.386 4.719 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033538 FMHDEXANTOOHEJ-JESJEVRBSA-N 657.789 4.719 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409070437 XMCQHWKDPSFTJJ-DJKKODMXSA-N 632.794 4.897 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409074815 RYMWSXXRLNHLOD-KEBDBYFISA-N 565.922 4.591 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409260818 WXXURSBHNNATIA-NDENLUEZSA-N 550.036 4.814 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1 409379982 DYEDXVDHYQHUEI-DIBXZPPDSA-N 577.593 4.958 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 409399659 LLNAKIMIZDMSNY-WQRHYEAKSA-N 585.252 4.999 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)n1-c1cccc(C(F)(F)F)c1 2650355 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COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3ccccc3Cl)C2=O)cc1 409266842 RSKSSNLBMHUVGQ-UYRXBGFRSA-N 612.820 4.573 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCC(=O)OC 409329373 FMBFXEIMVZYPHN-YVLHZVERSA-N 573.405 4.787 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1 409340346 VPFWKKRYJWWNEY-HAHDFKILSA-N 533.631 4.567 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1[N+](=O)[O-] 409349841 WKUXSJXEASDIOW-CIAFOILYSA-N 557.587 4.985 10 40 KJCB O=C(NN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1Cl 1776393 JSVCEXHRVMUTLX-QZQOTICOSA-N 506.008 4.803 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 6226483 DPEOKBJRCVKDIP-UQDCTOEPSA-N 592.117 4.876 10 40 KJCB CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=O)N=C2S1 26743655 GJMQKCLGCQCABI-IOPUFQEFSA-N 508.600 4.971 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c3cc(C)c(C)cc32)S1 102785650 PPXZRVSXUFSTDP-IAGOWNOFSA-N 628.794 4.680 10 40 KJCB C[C@H]1CCCN(c2ccc([C@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)C1 260841223 KTDVWHSKIPWFJL-HOTGVXAUSA-N 520.080 4.720 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Br)cc1 408893605 HECKXIWURNPVEY-DEDYPNTBSA-N 555.406 4.500 10 40 KJCB CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408985392 WRGCIUGQJPMTEU-NSIKDUERSA-N 556.196 4.673 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409082604 JMMXHYMSQZFBDH-VCHYOVAHSA-N 702.370 4.752 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1C 409129210 REQBVRPRWJDPLI-HYARGMPZSA-N 501.608 4.637 10 40 KJCB Cc1c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1F 409202407 QJCMXTURLIDHBG-ZVHZXABRSA-N 500.505 4.808 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409268415 SXHYCFHMHPYYFG-JAIQZWGSSA-N 535.043 4.741 10 40 KJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc3c(c2)OCO3)cc1 409398447 AYEDLUCGEULHPU-QQXSKIMKSA-N 507.546 4.863 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 12868115 GPAMETNVTHNDKR-XDHOZWIPSA-N 513.388 4.831 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)ccc1I 103849046 HKTBQEZWBHJZIG-NDENLUEZSA-N 543.336 4.813 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1NS(C)(=O)=O 225483298 PIQGCEHKDKXAIQ-WUFINQPMSA-N 591.715 4.775 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(=O)O 225506275 KLGIPHKWUBWJDA-SXOMAYOGSA-N 525.634 4.799 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I 408902133 KQQGKHLDTXCOIM-OQLLNIDSSA-N 637.258 4.853 10 40 KJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(I)o1 408953954 QZBACSLTUDRRGO-XBXARRHUSA-N 572.005 4.785 10 40 KJCB Cc1nn(Cc2ccccc2)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 408997034 GATDBIBBMUHVGC-XDHOZWIPSA-N 522.403 4.506 10 40 KJCB COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 409059465 RIVZCCLFPBKASG-XKZIYDEJSA-N 524.986 4.803 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3)C2=O)cc1Cl 409066384 OLQFNSPHKSOPCH-XDHOZWIPSA-N 531.373 4.736 10 40 KJCB O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 409083984 UZXPOXCVIQGHFR-UHFFFAOYSA-N 579.079 4.680 10 40 KJCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c3ccccc32)cc1 409243033 UPBKFDMPKYSSJK-HZHRSRAPSA-N 508.603 4.728 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409258722 ZPJKAKLFXMZUDK-XKZIYDEJSA-N 592.004 4.518 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 9310879 NQGZKFODXWQMOB-ZDLGFXPLSA-N 511.317 4.937 10 40 KJCB CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 17732100 LUDNBEDYZWKYCU-PVHODMMVSA-N 508.534 4.865 10 40 KJCB COc1ccc(N2CCN(c3nc4ccccc4nc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1 21548919 IBRUJXQHPSRMHR-UHFFFAOYSA-N 531.682 4.999 10 40 KJCB COc1ccc(N2CCN(C(=O)CCCCCn3c(=S)[nH]c4ccc(Br)cc4c3=O)CC2)cc1 98049431 VADHDQDMBYHNSP-UHFFFAOYSA-N 545.503 4.739 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccccc1I 101145658 XIGIYRWVROLPPH-PWRODBHTSA-N 583.765 4.640 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(I)cc1 408775620 QSACZNXAZAWGQV-RGVLZGJSSA-N 529.309 4.504 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408780546 DGIPNMMBRIJWAS-RGVLZGJSSA-N 521.913 4.811 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 408802898 IYSBIHMLAHYKDK-HZHRSRAPSA-N 549.377 4.871 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408812939 PWBTXGOFELEQLI-CIAFOILYSA-N 534.952 4.689 10 40 KJCB O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 408937825 PCYRQAWJNQFQCJ-DJKKODMXSA-N 511.317 4.968 10 40 KJCB CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)c(=O)n32)cc1OCC 408938150 RVZAWMWQFQIAKP-SWFNHZAASA-N 585.726 4.840 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3Cl)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 409057841 MLFDMUSKJBSAAE-UHFFFAOYSA-N 562.519 4.850 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3C)C2=O)cc1 409264049 KJDWWYACQZTZJJ-HMAPJEAMSA-N 606.429 4.536 10 40 KJCB O=C(NC1CCCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 905906 AGBHCHDDZWYTJE-YTTGMZPUSA-N 584.696 4.626 10 40 KJCB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1NS(C)(=O)=O 225472387 YRJMIXKCWYZTQC-CONSDPRKSA-N 632.812 4.883 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1 408810442 IZCJJNIJGDFVJX-VXLYETTFSA-N 552.337 4.611 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc(Cl)c1OC(C)C 408898394 LZZILQFDRHLNGQ-NVNXTCNLSA-N 507.768 4.873 10 40 KJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)c2C)cc1 409198226 AETYUHVSQQHZIK-ONUIUJJFSA-N 546.649 4.614 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1 409328752 ARCYEXIXJSRMQA-CIAFOILYSA-N 552.546 4.850 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2)cc1 409386446 LQFAJZCVXTUEIM-CEUNXORHSA-N 577.593 4.958 10 40 KJCB CCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1 32109384 JHRBABRIALSDEL-BSMJIXEWSA-N 522.627 4.816 10 40 KJCB COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12 96222646 LBAYMXAISOEZSX-KRWDZBQOSA-N 512.470 4.885 10 40 KJCB biogenic CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 101023347 CRGSEYRRTUNNSW-PYCFMQQDSA-N 537.686 4.552 10 40 KJCB CCOC(=O)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCC 113838502 YJGXLVDEIWBBEM-UHFFFAOYSA-N 530.602 4.776 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4C)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 408823905 FUZZBZCVPLFRRD-RGFRMHDHSA-N 525.674 4.823 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 409017829 HWPXQDSQVFUNPE-ASUJOLEISA-N 614.768 4.679 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1ccccc1 409060760 XSJIQPZZCVDYSG-NJGZBDCRSA-N 549.696 4.844 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 409066352 AGPFAGIHNJIZLA-DEDYPNTBSA-N 507.999 4.674 10 40 KJCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409179691 NHBFIIAXAAUEEQ-UDWIEESQSA-N 552.546 4.850 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409263461 MUEXMJZLBSPCIC-MTJSOVHGSA-N 655.445 4.696 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(OCC)c3)C2=O)cc1OC 409383545 WPENXJNMJPXZNG-QNGOZBTKSA-N 591.592 4.706 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 2987563 LYCXBHSHYXMJRH-LWUPDDLQSA-N 517.676 4.576 10 40 KJCB Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2Cl)c1 9460869 BDRMDBYZDKDPBG-XQWBAOJFSA-N 522.030 4.859 10 40 KJCB Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 26533891 KIBFUFAIRDNYSA-SPMCPBLHSA-N 504.681 4.887 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC(=O)O 409093362 ZBMPKNJWXHBLIO-UNOMPAQXSA-N 507.340 4.756 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409254289 IEKOZQSXFXSWHM-FVHJOOJJSA-N 512.653 4.791 10 40 KJCB COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)c1 409266240 PKMXXUPEQMYXQR-UUYOSTAYSA-N 510.593 4.716 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409386851 NWKOSQITCDBXLX-CIAFOILYSA-N 540.359 4.686 10 40 KJCB COc1ccc(NC(=O)COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2OC)cc1 409386871 OCFZQWSBGVFABZ-RGVLZGJSSA-N 614.836 4.804 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1OC 2065507 XDJWZHSHCSCKOB-HZHRSRAPSA-N 518.541 4.864 10 40 KJCB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 8830100 PJWHGLHNJDQFJG-VJGNERBWSA-N 538.600 4.968 10 40 KJCB CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21 9425316 KQVDLVNSSWDSEM-GMQQYTKMSA-N 509.558 4.700 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 14132903 HAAGITQVLLFBLC-KGENOOAVSA-N 501.495 4.547 10 40 KJCB CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)cc1 102504579 HMMFZAPNDXYYLM-AQTBWJFISA-N 504.328 4.557 10 40 KJCB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 103858286 FZDPVGUAMIYHSK-UDWIEESQSA-N 523.343 4.740 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1OC 225296749 DYPRLJXPOAAWRD-URLMMPGGSA-N 585.686 4.958 10 40 KJCB C[C@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)cc2)C1 260839100 IFKSXSJPZQXSLL-JKSUJKDBSA-N 520.080 4.720 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc2c(c1)OCO2 408761885 MEHLZZMJMXUSRO-VXLYETTFSA-N 565.376 4.740 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)cc1 408784428 RBIIUQPQWGYIJY-UDWIEESQSA-N 582.350 4.543 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(Cl)cc1 409089068 MVEYSXJNBHIZLK-NLZIUFDSSA-N 587.971 4.586 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409258110 TWXAJVCYTZLSBO-JJFYIABZSA-N 684.443 4.899 10 40 KJCB COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409342249 AZIVAYGCIPLTQA-RMORIDSASA-N 565.585 4.755 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1F 409382435 MIOKFFXLHYLOGD-UYRXBGFRSA-N 537.931 4.562 10 40 KJCB Cc1cc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)n1-c1cccc(C(F)(F)F)c1 2650354 JJWJZHBWAQLBMI-SFHVURJKSA-N 542.510 4.663 10 40 KJCB CCOC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1 13025215 KUSPCGXXGVEXFW-SANMLTNESA-N 503.599 4.969 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(I)c1O 13915042 NAXNCRSUYUITGS-MDWZMJQESA-N 513.129 4.574 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)cc1 18142972 NTSJIRBXMCCEEV-RZUBCFFCSA-N 506.341 4.997 10 40 KJCB CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 27549326 XUIAWXIRGPYNLT-LTVAAQCESA-N 508.600 4.971 10 40 KJCB O=C(O)c1ccccc1CN1CCN(Cc2ccccc2O)CCN(Cc2ccccc2O)CCN(Cc2ccccc2C(=O)O)CC1 95101078 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CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OS(=O)(=O)c4ccccc4)c(OCC)c3)C2=O)cc1 409073316 MFIZACYTTABWSJ-KGENOOAVSA-N 571.007 4.572 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC 409122897 CSYOYCJOJLKJRF-FYJGNVAPSA-N 659.511 4.685 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1C 409254463 ZGQXJGQJZWLRNO-JAIQZWGSSA-N 670.416 4.590 10 40 KJCB COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C2=O)ccc1Cl 409272654 NWENSXHMGNLWRG-SSDVNMTOSA-N 568.007 4.907 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C2=O)cc1 409365738 WRNVQSWNXVZIPY-CIAFOILYSA-N 612.408 4.679 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1OC 97960619 PKZYUCQQTDXKGK-RIYZIHGNSA-N 526.714 4.859 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(NC(C)=O)cc1 97964884 HCUHZNGJKXFPRI-YBSSFRMFSA-N 542.017 4.794 10 40 KJCB O=C1NC(=S)S/C1=C\c1cc(I)c(OCc2ccccc2)c(I)c1 146469536 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CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC 408752237 GZCVXLNXALLDPG-OQLLNIDSSA-N 507.768 4.875 10 40 KJCB COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(N4CCCC4)c(C)c3)c(=O)n21 409054735 NNLQYKUXABAHCZ-SUAMDDGLSA-N 610.574 4.867 10 40 KJCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1 409230294 BUFJESANWXMGLV-WSDLNYQXSA-N 507.015 4.846 10 40 KJCB Cc1cccc(COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])c1 409399627 KWEWUYIRHVCNTF-ODLFYWEKSA-N 508.328 4.706 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1C 409406712 KUQQTXQSLZZHQA-MOSHPQCFSA-N 550.409 4.635 10 40 KJCB Cn1ncc(/N=[N+](\[O-])c2cnn(C)c2C(=O)Nc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1 13598756 VDNZESPPIDEBRD-OVXWJCGASA-N 513.345 4.891 10 40 KJCB CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)C1=O 59087295 POGHJYJPQVMZNN-GZTJUZNOSA-N 500.324 4.944 10 40 KJCB Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 97960538 JUNFRSFJSYNDNS-JAIQZWGSSA-N 552.337 4.760 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C2=O)cc1 408541987 IPYLVSRIQXQAEF-NLRVBDNBSA-N 569.614 4.575 10 40 KJCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)c1 408741362 PKIQEQXTTVFFJP-PDGQHHTCSA-N 542.367 4.847 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)c(OCC)c3)C2=O)cc1 409064821 GOOQHWSYCOKDCC-PXLXIMEGSA-N 571.007 4.572 10 40 KJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3O[C@@H](C)C(=O)O)C(=O)N(c3ccccc3)C2=S)cc1C 409189181 DZODCLYJZPVKAI-QSSXUJFUSA-N 500.576 4.904 10 40 KJCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409238760 LAWOSUMALJRSBC-WOJGMQOQSA-N 500.454 4.803 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409247692 AOJCKMGZFVGEQQ-ZDLGFXPLSA-N 521.458 4.923 10 40 KJCB COc1ccc(O)c([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)c2ccccc2I)c1 2747260 FUQLVNLOGYDNDG-FQEVSTJZSA-N 594.203 4.679 10 40 KJCB COc1ccc([C@H]2[C@H](C(C)=O)N3c4cccc(NC(C)=O)c4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 8918603 GXUAJUUEICEVSV-KCHLEUMXSA-N 506.558 4.676 10 40 KJCB biogenic COc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)c1 16790596 KBXVWKBMGHNMEK-HYARGMPZSA-N 504.589 4.769 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 100833486 DHEBMJJDHKSFQQ-LPYMAVHISA-N 549.586 4.677 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408801873 WGNCGHRJPSYCBY-XDHOZWIPSA-N 522.311 4.603 10 40 KJCB COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c(OC)cc1Cl 408824011 OZSHQTVLNIWXRH-NTUHNPAUSA-N 523.767 4.573 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409048409 WMFITCPYBRMCDY-AJAYTNACSA-N 755.631 4.761 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 409050434 VPKHWPMAAVPQSK-WSDLNYQXSA-N 533.968 4.649 10 40 KJCB COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCOC[C@@H]3CCCN3C(=O)c3cccc(c3)OC2)CC1 643562761 PGIZQIYUKJMOIH-NDEPHWFRSA-N 591.749 4.638 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 8493381 FFSIEINXLNAYBY-HTWVIFJXSA-N 508.625 4.962 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cc(Cl)ccc4Cl)C(=O)[C@H]23)cc1 18115655 LTGPGKXGUSAGQW-FDFHNCONSA-N 506.341 4.997 10 40 KJCB COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)ccc1NS(C)(=O)=O 225417044 XPFPLYRFBKUXLP-FIRIVFDPSA-N 632.812 4.883 10 40 KJCB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731632 OFBITSDHXXLIGA-QQMBNGEASA-N 642.734 4.859 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1cccc(C(=O)O)c1 408898001 KHTGVLRUAUSPKK-CIAFOILYSA-N 626.403 4.942 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 408991497 XSUCVXBDRWIPRT-WQNUKSJVSA-N 592.117 4.876 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)S1 409025266 OVXFHFHKHHTHLF-MFOYZWKCSA-N 510.207 4.897 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409253908 CFSLRTJLEFAABC-MOSHPQCFSA-N 533.968 4.731 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409258022 VSQLMNGNGJMDQX-FYJGNVAPSA-N 578.419 4.758 10 40 KJCB CN1/C(=c2/s/c(=C3\SC(=S)N(c4ccccc4)C3=O)n(-c3ccccc3)c2=O)C(C)(C)c2ccccc21 4109333 OZYPGADRLFWEGM-FZDXEJJASA-N 541.723 4.608 10 40 KJCB CCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778032 WLRGHPOTZYPNGS-ONUIUJJFSA-N 545.636 4.757 10 40 KJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223182803 OZCRWIRMLUJXEO-WUFINQPMSA-N 503.716 4.746 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1F 408692609 QOTCXGVXIDJEMI-LICLKQGHSA-N 517.351 4.580 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408883194 RWAJETOCFWIMNW-FYJGNVAPSA-N 646.459 4.741 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cc(OC)ccc1OC 408985235 AJRGPUOZKOMNJD-OEAKJJBVSA-N 548.617 4.521 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409046077 IPEBHYJGNRCABZ-LPYMAVHISA-N 636.455 4.627 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 409088396 JDBZXAMXXKOWPA-PYCBVSLESA-N 584.742 4.528 10 40 KJCB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 409202418 RXNNDZSMSWVWIO-HMAPJEAMSA-N 505.575 4.761 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCC(=O)Nc3ccc(OC)cc3)C2=O)cc1OC 409384577 DDNKLQKLVPHLFQ-HAHDFKILSA-N 594.020 4.830 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1OC 408603137 QIANRLMHUXANCP-AQTBWJFISA-N 525.901 4.972 10 40 KJCB COc1cc(OC)cc(-c2nc(S/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1 408633853 PZSKRMCDMIAZRF-SRZZPIQSSA-N 511.560 4.605 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 408983536 LERAEGSCHHMYON-HRIDGTDGSA-N 555.700 4.831 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409092061 SOSKKYALEJSAIY-RQZCQDPDSA-N 552.883 4.932 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@@H](C(=O)NC3CCCCC3)c3ccc(N(C)C)cc3)n2)o1 887483 DUAURZAWSBXZJO-HHHXNRCGSA-N 561.712 4.588 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 16038309 LTYALSLLBKTIJI-CCDWMCETSA-N 523.545 4.859 10 40 KJCB Cc1cc(NC(=O)c2ccc(N)cc2)ccc1/N=N\c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 100454344 QFODNPVMQLYJIE-DQSJHHFOSA-N 540.579 4.892 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(NS(C)(=O)=O)c2)cc1 225494128 DHXVWNKVNQIPSZ-SXOMAYOGSA-N 563.705 4.747 10 40 KJCB CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)cc21 260924164 RWPWWBMZYSPQQL-RPBOFIJWSA-N 512.123 4.671 10 40 KJCB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1 408854646 AQFMJDYLOCMNQA-RVDMUPIBSA-N 501.347 4.871 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 409043416 QRBISAWTZGSQQD-GZTJUZNOSA-N 631.810 4.637 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409086116 YMQYNGCQNAPESQ-LZYBPNLTSA-N 553.827 4.523 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c3)C2=O)cc1 409262173 FQGMUAUFGDXMTO-OEAKJJBVSA-N 533.968 4.731 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409383468 VMUJWFNJKWIVIS-XDHOZWIPSA-N 567.957 4.570 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C2=O)o1 409399472 IZMRTHHZUVXCFR-QRVIBDJDSA-N 557.519 4.662 10 40 KJCB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102757643 WJWWTLYHMHXMSD-KKUQBAQOSA-N 516.554 4.501 10 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COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC 101006955 XAIVZRWLGHRBOY-BKUYFWCQSA-N 530.624 4.508 10 40 KJCB O=C1N=C(N2CCN(C(=O)CCN3C(=O)/C(=C\c4cccc(Br)c4)SC3=S)CC2)S/C1=C\c1ccccc1 150444594 FOFGDAVVUYWZBC-ICZBVKINSA-N 627.611 4.855 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)ccc1Br 205909272 OGDBDACZQCQTLE-UDWIEESQSA-N 502.434 4.824 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408966047 LEHRIYWTVFQGLQ-WOJGMQOQSA-N 511.962 4.505 10 40 KJCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)S1 409026396 OAABRRNXTJQGRW-MFOYZWKCSA-N 510.207 4.897 10 40 KJCB CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n32)cc1 409059524 RVRVPPKKXBRXST-HPFVHPJRSA-N 547.746 4.899 10 40 KJCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409240360 GUPIDYWCZYYRDK-KEBDBYFISA-N 527.524 4.951 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC 409260688 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CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1ccc(SC)cc1 409022268 LTBDAZOCYYVQQR-NNAGEYCMSA-N 586.783 4.994 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 409074637 WCVBTVJJHSGHJP-IEIVDPGYSA-N 609.748 4.861 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409092198 WLQBEKCHFUJTMZ-RQZCQDPDSA-N 660.333 4.671 10 40 KJCB COc1ccc(N2CCC(O)(CN3CCC[C@](O)(COc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 585282632 LXDYRYORKDQBHQ-AREMUKBSSA-N 509.474 4.629 10 40 KJCB COc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 15223212 WJEORLQBGJQMRI-UHFFFAOYSA-N 503.536 4.674 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 101234860 IISLVVDVMMINHG-XKPYOKEHSA-N 518.942 4.890 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 409021866 COWHLZGUJFTLNV-LCQSEVKBSA-N 604.128 4.954 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)c(OCC)c3)C2=O)cc1 409253743 BXWAJFKHUFASDW-RCCKNPSSSA-N 563.994 4.821 10 40 KJCB Cc1ccc(S(=O)(=O)c2c(O)cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)c2C)cc1 1062882 NQZRHUFGBBMBNI-UHFFFAOYSA-N 510.431 4.714 10 40 KJCB aggregator COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCCOc3ccc(C)cc3)C2=O)cc1 9730895 CBYAJYMEXDICCB-KQWNVCNZSA-N 506.942 4.781 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 101034815 VXDQQLPBRFDPEP-SWRNOLMKSA-N 521.942 4.613 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(I)c1 103851391 PEGPIBPBHVUYOV-WOJGMQOQSA-N 545.377 4.669 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 206907659 XBFCQZBXGLBORQ-OQLLNIDSSA-N 513.822 4.666 10 40 KJCB Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223147335 UZPJXBABFKJDMH-CLJLJLNGSA-N 510.107 4.756 10 40 KJCB COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3Cl)CC2)cc1 408635654 GSMOKBHBOPUZHL-UHFFFAOYSA-N 550.464 4.530 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408941902 QAHGWILCDAWENO-YBFXNURJSA-N 511.317 4.937 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409074928 OLPKZMNBMPRPLM-CPNJWEJPSA-N 561.797 4.537 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)SC1=S 409237650 AUNGDCUWTUVTQD-BOPFTXTBSA-N 554.431 4.538 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409256148 KEDDOZGLZCMFRK-OEAKJJBVSA-N 531.540 4.525 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1OC 409372315 YPXYADFYCODRDO-XKZIYDEJSA-N 624.046 4.839 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(C)C 16575319 YDNCVQAAVDOVAW-PXNMLYILSA-N 507.768 4.812 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(/N=N/c4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 105498892 GCEZHMUCDLBKMN-SDCACLTKSA-N 554.628 4.928 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 225677777 TXMVNFJYFRAJRB-UHFFFAOYSA-N 576.115 4.724 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 408836807 VUMIJBNVFORYLQ-RGFRMHDHSA-N 525.674 4.823 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Br 408871561 YZJYPGXEHGICGY-MOSHPQCFSA-N 507.409 4.880 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)c(OC)c3)C2=O)cc1 408890649 XDMJHJFJWZAQOY-KGENOOAVSA-N 579.403 4.880 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C2=O)cc1 408944642 NBTPKVBDHBMANW-CIAFOILYSA-N 507.930 4.511 10 40 KJCB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 409122988 DEINXEFGIQZXEH-JJFYIABZSA-N 574.522 4.576 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O 409235592 CGMNNFGXYKSRCS-LUYJPIOASA-N 517.376 4.700 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409339527 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CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3)c2=O)=N1 409059359 MQAWHPDCAWNWKA-CMISJSSVSA-N 566.123 4.841 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)c(Br)c1O 409067597 FWNUGUXZOAWQSS-VMPITWQZSA-N 565.001 4.899 10 40 KJCB O=C(Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21)Nc1ccc2c(c1)OCO2 409176881 ZWNAZKGCQDHTDB-MSXFZWOLSA-N 556.625 4.555 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1=O 409222803 CZFSKHBGLRKNGT-DEDYPNTBSA-N 524.360 4.986 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c(C)c1 409264645 QOVIFMKAKFQVGT-MOSHPQCFSA-N 503.942 4.641 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1F 409379540 XMWRVVKCNAMBMS-WJDWOHSUSA-N 528.323 4.816 10 40 KJCB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1C 2156497 JAKCVDMHCQRPOK-RGVLZGJSSA-N 507.999 4.894 10 40 KJCB COc1ccc([C@H](NCCN[C@H](c2ccc(OC)c(OC)c2)c2cc3c(cc2O)OCO3)c2cc3c(cc2O)OCO3)cc1OC 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CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1OC 409135099 UIPTWRJUWJPLGV-HAVVHWLPSA-N 500.551 4.725 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)cc1 409229585 RMJMCCVKRNTWHH-BUVRLJJBSA-N 504.612 4.844 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1C 409259093 XJVCKZZLNVRHAS-OEAKJJBVSA-N 548.393 4.750 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)c(Br)c3)C2=O)cc1 409262246 GGNLJFZHBRBDEY-LPYMAVHISA-N 578.419 4.758 10 40 KJCB COc1ccccc1NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409376390 ALSQVBURFOKPPR-WOJGMQOQSA-N 584.810 4.795 10 40 KJCB COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 409376758 AVLLJUUWHSNMKN-WOJGMQOQSA-N 659.287 4.913 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 103086475 WIBMUMFTHDDZCA-UHFFFAOYSA-N 525.974 4.975 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)C2=O)cc1 408889676 IVUCJKRSOJALHB-FYJGNVAPSA-N 525.330 4.842 10 40 KJCB CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409045602 GOVGXSNVZBWPPV-CXUHLZMHSA-N 522.193 4.894 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3ccc(N4CCCC4)cc3)c2=O)=N1 409057866 WXSXRIPHCSFJNW-DBXPASCUSA-N 610.574 4.950 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C/c3ccc(N4CCOCC4)cc3)c2=O)=N1 409058255 JYQCGNSGKUZUNC-VVLSBWROSA-N 578.738 4.834 10 40 KJCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C 409227015 OGXXXUNUQYJEDP-RGVLZGJSSA-N 527.524 4.951 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 409406729 KVMBPPMRGQECGF-GRSHGNNSSA-N 537.366 4.617 10 40 KJCB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 17857132 IMKHPGFFJLWECS-FSSWDIPSSA-N 522.340 4.697 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 100871291 LHSKPHIRAVTDFE-PYCFMQQDSA-N 537.686 4.552 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1NS(C)(=O)=O 225481714 GXGYMPWHEBSNBI-KAYWLYCHSA-N 591.715 4.745 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Br)cc1 408692386 LJJBRBIXBHZGJC-DEDYPNTBSA-N 513.388 4.831 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 408864592 XCYHUYXSLBXQOC-NULZLWRNSA-N 676.589 4.904 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)c1 408965523 IDCCDYVBDPGDLY-BUVRLJJBSA-N 501.608 4.719 10 40 KJCB COc1ccc(CN2C(=O)/C(=C/c3cn(CC(=O)NCc4ccco4)c4ccccc34)SC2=S)cc1 409133145 OWBVNNMVEFMFIL-CFRMEGHHSA-N 517.632 4.961 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)C2=O)cc1OCC 409195169 RVZRFGUOOKHGKM-WOJGMQOQSA-N 561.429 4.706 10 40 KJCB CCN1C(=O)/C(=C/c2c(N3CCC(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 1293797 VEYXOKWBRZFTAF-JWGURIENSA-N 504.681 4.683 10 40 KJCB CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 113625362 CJRJTNBIGIBKBX-UHFFFAOYSA-N 539.723 4.919 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1 408535898 OYAUTDVWULXXFS-UDWIEESQSA-N 524.451 4.908 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408741339 PEWFFJCPYCRKOH-HYARGMPZSA-N 501.495 4.547 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Br 408846647 RDRZVCUELNLZCA-OVCLIPMQSA-N 522.193 4.894 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408956366 WGEXPNWKOLYQOX-OEAKJJBVSA-N 537.484 4.722 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 409070256 YNSPLKJQPBERQU-GIJQJNRQSA-N 616.218 4.861 10 40 KJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)SC1=S 409134649 WYTNZFUUJUAJIV-BKUYFWCQSA-N 536.517 4.541 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409194436 BVENMJMEIMBENG-RGVLZGJSSA-N 527.605 4.790 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 2987419 TVNLBAMFFHFQDY-DBXPASCUSA-N 511.647 4.514 10 40 KJCB CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ccc1F 3286559 JKSOIKWKJDPJAJ-UHFFFAOYSA-N 552.571 4.905 10 40 KJCB CCOc1ccc(-c2cc(/C=C3/SC(=S)N(CCOC)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] 16730033 ALIHCGRGDSJLSR-PXLXIMEGSA-N 510.597 4.694 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1 32109456 FFSIEINXLNAYBY-FNKNWIJASA-N 508.625 4.962 10 40 KJCB O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)C(O)=NC(=S)N1c1ccccc1F 59135691 IICDYWAFBFFJCH-WEVVVXLNSA-N 500.143 4.728 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 100072324 HGVIEHZLXAKRFM-HMXFMCBNSA-N 555.700 4.806 10 40 KJCB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1C 223188206 OVGROXLZIQAZDW-VSGBNLITSA-N 503.716 4.801 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cccc(C)c1 408536343 QYUDPXHDYGZJRW-KGENOOAVSA-N 504.926 4.933 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1OCC 408797825 CXLQSDFUYBVRFT-GZTJUZNOSA-N 501.377 4.920 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)c(OC)c1 408980776 XJKYHNLAXRXOGR-IMUCPKNRSA-N 612.752 4.746 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C(=O)NC2=S)c(OC)c1 409105913 JYGKERGDBNTOKE-LDADJPATSA-N 540.439 4.705 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409339087 DVWXHUQNANLZLH-LPYMAVHISA-N 553.687 4.937 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SC(C(=O)OC)=C3C)ccc1OCCOc1ccc(C)c(C)c1 97964295 ZCWWNALBAALRSP-GQHYPKHLSA-N 535.622 4.870 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3C(F)(F)F)[C@@H](C(=O)NC[C@H]3CCCO3)c3ccc(N(C)C)cc3)n2)cc1 100330005 BLXYZIAWEGJZRA-VAVYLYDRSA-N 621.664 4.803 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(Cl)cc1Cl)OC21C(=O)c2ccccc2C1=O 169619580 JXCDQZPILSWKLP-NJDAHSKKSA-N 537.311 4.597 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1 408742272 VTPWCIQVHOBPSY-HYARGMPZSA-N 507.340 4.703 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC 408847279 SUJNHSORTLRJCN-YRNVUSSQSA-N 530.227 4.995 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1 408897235 QZDFNAKHGLZEFM-LPYMAVHISA-N 518.953 4.989 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409062530 WHJYTSIMEIFAGH-JBDHCHCMSA-N 640.600 4.877 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409070081 MXQCMUQMZYUYQM-YBFXNURJSA-N 561.399 4.745 10 40 KJCB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409131649 JDEIVIUIBPTVGN-WGOQTCKBSA-N 549.624 4.707 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409219577 OFINPAWNVLWIGF-FYJGNVAPSA-N 625.419 4.682 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)c(Br)c1O 409238318 WWQUAFXUBLHRHJ-VZUCSPMQSA-N 580.176 4.776 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)NC2=S)cc1 409376064 SYYDVBCIINEXDQ-BUVRLJJBSA-N 510.575 4.992 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(OC)cc1 409384140 BIIJNRZNZNYLMN-BKUYFWCQSA-N 566.035 4.596 10 40 KJCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1Br 59198484 YYKXNUSSONNABX-NTEUORMPSA-N 509.223 4.949 10 40 KJCB COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)O)c2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97972051 XWADIHYPVCFNQW-INIZCTEOSA-N 574.494 4.641 10 40 KJCB biogenic CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4OC)C3=O)c2C)sc2c1CCCC2 408742913 QNPRQIUVNASWKR-HKWRFOASSA-N 547.633 4.886 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409053767 HQSGSHZINITRPZ-URFJJRPFSA-N 593.705 4.655 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 409066182 KGYZFLNAEZOLSN-RGVLZGJSSA-N 511.317 4.937 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(Cl)cc1 409222695 DFYRZUSXCGPOTA-UDWIEESQSA-N 510.333 4.677 10 40 KJCB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409236030 RFRMDLDHUVZKPR-PXNMLYILSA-N 574.849 4.768 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCC 409340112 QOUKAHJGWFIFFR-XNTDXEJSSA-N 513.460 4.854 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)ccc1OCc1cccc(C(=O)O)c1 103873759 KLPNRUZJUNCHPV-GZTJUZNOSA-N 541.343 4.946 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 408529741 DAYWMVORYBQFQI-DEDYPNTBSA-N 535.350 4.652 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1 408743210 RNIHZTDHOAMHKS-BKUYFWCQSA-N 536.382 4.618 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408803044 KQRZTZFKKVVKDI-BUVRLJJBSA-N 538.472 4.902 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC(C)C 408896662 GZUFMOPUVGLXEU-NVNXTCNLSA-N 552.219 4.982 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409327058 HEVVRZBPYJFBDN-RQZCQDPDSA-N 553.412 4.714 10 40 KJCB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1NS(C)(=O)=O 225447868 FKADGXZUCDOUDJ-CLJLJLNGSA-N 532.695 4.741 10 40 KJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 408529116 GYZYJKNBVCCBQB-BKUYFWCQSA-N 511.007 4.575 10 40 KJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408535156 XTZYPQSIEKJKLS-NKFKGCMQSA-N 507.598 4.622 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1C 408754990 BBMBTEKEOJULIC-CIAFOILYSA-N 507.388 4.843 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408804112 VXZZFFBOVLNINZ-HYARGMPZSA-N 534.952 4.771 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408817450 VRRJZWHNRZLIFJ-RGVLZGJSSA-N 540.301 4.742 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408859491 YBDBHZOVAZSENC-GIJQJNRQSA-N 558.399 4.629 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408981867 DEUASMKFNFPDKT-JAIQZWGSSA-N 521.913 4.811 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 409059092 OXKLKZHYFVGJIQ-OXDPQRGISA-N 593.705 4.573 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409063746 MOXASMORYBCJRS-TVRVIFGSSA-N 713.813 4.969 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(CC(=O)NCc3cccs3)c12 409122986 DDNWNYOYPMFZLT-JJUBJSHISA-N 525.721 4.962 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 409219897 WJMCTKFSIFWDCH-LPYMAVHISA-N 563.994 4.740 10 40 KJCB Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c(C)n1-c1ccc(OC(F)F)cc1 2648220 HBHRDJIKELPDJQ-IBGZPJMESA-N 521.520 4.729 10 40 KJCB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 8383792 FKPANLRFGWCBDY-HYARGMPZSA-N 626.449 4.895 10 40 KJCB CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1 97951045 JNQILYIPZMHQAX-UHFFFAOYSA-N 542.661 4.846 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C 100329983 KLBNZWDPOHAENY-BHBYDHKZSA-N 602.139 4.746 10 40 KJCB COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 104655758 JLXYEFFZDSGDAE-UHFFFAOYSA-N 579.343 4.931 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Br)cc1 408882658 PYUVNUIGKDQQNO-FYJGNVAPSA-N 569.433 4.808 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408913689 MZNZLZSVOBDDBI-XSFVSMFZSA-N 518.664 4.543 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 409017149 FCARGKAXMIQMET-MFKUBSTISA-N 520.607 4.561 10 40 KJCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccccc1F 409024423 LBYWUWUDEGCKIA-ZDLGFXPLSA-N 540.354 4.514 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)SC1=S 409249565 NMUPMYHPDRMURT-YVLHZVERSA-N 572.421 4.678 10 40 KJCB Cc1cccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c1C 409254121 HUSJEWNMNKFIQN-LPYMAVHISA-N 503.942 4.641 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)cc1 409257175 RJVTXRBVESIEOZ-YBFXNURJSA-N 629.261 4.904 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3C)C2=O)cc1OCC 409262440 DQKGLUSHGVKNOE-HAVVHWLPSA-N 557.603 4.866 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409342910 FWIZNBHKZIHJIZ-LICLKQGHSA-N 553.412 4.714 10 40 KJCB CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)SC1=S 409379246 WFMSRWXUWPKJTC-YVLHZVERSA-N 508.415 4.956 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)Nc4ccc(F)cc4)c(OC)c3)C(=O)NC2=S)cc1 409383140 ZPNPMLQOZXNGCD-CIAFOILYSA-N 568.026 4.899 10 40 KJCB Brc1sc(C2=S=C(c3sc(Br)c4c3OCCO4)c3nsnc32)c2c1OCCO2 2362797677 WCXWNSJYAPMMNB-UHFFFAOYSA-N 580.326 4.613 10 40 KJCB COc1ccc(OC)c(N2C(=O)/C(=C\c3ccc(OC)c(COc4ccc(NC(C)=O)cc4)c3)C(O)=NC2=S)c1 1798571 QPGLRDURHKDCJK-UCQKPKSFSA-N 561.616 4.921 10 40 KJCB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)cc1 8714011 BRCCAWYAXJCOIC-BOPFTXTBSA-N 508.406 4.830 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 101168930 BOOPZRRFEPKJSU-BAFWVDMWSA-N 535.944 4.769 10 40 KJCB COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OCC(=O)NCc1ccccc1 102846642 REDHERGRPQXDPX-JJFYIABZSA-N 578.419 4.657 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 223185086 CVKPBGNCGIAXSP-IZZNHLLZSA-N 554.558 4.946 10 40 KJCB Cc1cccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4cc(C)c(Br)cc4C)C3=O)cc2)c1 408530587 JHIGCKXHPPIPMW-KGENOOAVSA-N 583.464 4.754 10 40 KJCB O=C1C(=Cc2ccc(I)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 408765323 PBVIWUUMBZHZAN-UHFFFAOYSA-N 500.317 4.633 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408867231 KGEKAQXYZXIRIW-YDZHTSKRSA-N 624.431 4.960 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 408916538 DVUCHSDDWGLCEI-MOSHPQCFSA-N 511.372 4.999 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3c(F)cccc3Cl)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 409007577 XZFYSBLOSVKPBR-UHFFFAOYSA-N 566.482 4.681 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1 409055920 KEFFCKDJEDCPAU-DEDYPNTBSA-N 599.235 4.896 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1 409057997 QZOMCRPEROVDMS-QSZUEBKQSA-N 579.722 4.935 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(Cl)cc3)C2=O)cc1 409065450 LWALAZZMBIKVLT-KGENOOAVSA-N 605.850 4.935 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1cccc(F)c1 409371181 BJFZFWZDRWUBFI-VXLYETTFSA-N 543.345 4.821 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2 409406874 DKUCNRFBXKZZTD-RQZCQDPDSA-N 586.192 4.621 10 40 KJCB O=S(=O)(Nc1cc(S(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 1682805 DDSZSTUPXTWDFK-UHFFFAOYSA-N 563.078 4.774 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC 2193041 WDFPVYWGRPRRLF-YNMQQHPQSA-N 559.663 4.744 10 40 KJCB CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 97946360 LWFLYNCMCYKZKE-ANYBSYGZSA-N 612.781 4.578 10 40 KJCB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O 408537237 ZRGWEAKZNBTIOL-XIEYBQDHSA-N 526.637 4.789 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1ccccc1F 408950401 JUVWJNTYPSXTPL-GIJQJNRQSA-N 538.915 4.852 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 409061343 DCANJJIBVYBHBY-UHFFFAOYSA-N 548.492 4.542 10 40 KJCB Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 8700763 QEGKSNBFILGHNP-PYCFMQQDSA-N 520.680 4.885 10 40 KJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Br)c1 8819613 DBRUGILIGLELDL-ZDLGFXPLSA-N 505.415 4.798 10 40 KJCB COc1cc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 8917723 XBRBDPQLQNRWRF-QKDODKLFSA-N 509.558 4.735 10 40 KJCB biogenic CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N3CCOCC3)cc2)c1 13025098 MKSAQSQCZKNASP-NDEPHWFRSA-N 515.610 4.766 10 40 KJCB O=[N+]([O-])c1cc([C@H](Nc2ccccn2)n2nnc3ccccc32)ccc1N1CCN(c2ccccc2)CC1 59488693 ZXSINBWHPAPOGF-MUUNZHRXSA-N 506.570 4.720 10 40 KJCB COc1cc(Br)cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)c1O 97961006 WZAJMIQLCSIOJD-AWNIVKPZSA-N 512.179 4.597 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 100277140 LLLOCOMRTSMXPE-IMRQLAEWSA-N 544.579 4.767 10 40 KJCB CCN1C(=O)/C(=c2/s/c(=C\C=C3\Sc4ccc(-c5ccccc5)cc4N3CC)c(=O)n2CC)SC1=S 100502501 XKNPFTBNNIIILG-HJAZFZGASA-N 551.784 4.839 10 40 KJCB CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 103586921 UVMDAUWNGHXBFZ-RSCUXIGJSA-N 527.331 4.785 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Br 408804214 DFSPLBUWZKAFNU-DEDYPNTBSA-N 507.340 4.703 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@@H]1c1ccccc1OC(C)C 408827132 CKRIROAYQARLBK-NULZLWRNSA-N 599.709 4.691 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C2=O)ccc1Br 408901140 WFXUIZXQSPASNV-DHDCSXOGSA-N 522.193 4.974 10 40 KJCB COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 409009436 FVIBIMQBFFQUAS-YDZHTSKRSA-N 561.443 4.938 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)C1=O 409066438 LEOCIRHRRQXOIU-CPNJWEJPSA-N 531.373 4.736 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C2=O)cc1 409087340 SYDNNMQNDQCIGL-RQZCQDPDSA-N 568.882 4.632 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCCC)c(OC)c3)C2=O)cc1OC 409131923 ZDLMOSQBOKKANL-WOJGMQOQSA-N 561.429 4.706 10 40 KJCB CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 409135967 WXCQBNBMLDXTSB-HAMGHATCSA-N 549.718 4.909 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 409136699 UKPMKIJZDRZSIE-LPYMAVHISA-N 501.608 4.637 10 40 KJCB COCCN1C(=O)/C(=C/c2cn(CC(=O)N3CCC(C)CC3)c3ccc(Br)cc23)SC1=S 409147941 WYOPOAQIWWMEPL-JAIQZWGSSA-N 536.517 4.510 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1OC 409370521 SESRFYPFYGTRKA-DEDYPNTBSA-N 624.444 4.549 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(Br)cc1 409400907 VANNBIGALZUMAI-NDENLUEZSA-N 538.354 4.796 10 40 KJCB N=C1/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 13514025 SOTCHGQWCQSUKA-JOFJPVPMSA-N 503.971 4.860 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)sc2c1CCCC2 13551313 YMSXRWWMASNKMM-ZHZULCJRSA-N 509.628 4.616 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)CC2)cc1 100094768 QAVNMPMBCSMJTC-UHFFFAOYSA-N 548.492 4.931 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1OC 101006864 CQKYDLPLOCFITM-MOHJPFBDSA-N 580.732 4.902 10 40 KJCB N=C1/C(=C/c2cccn2CCOc2cc(Cl)ccc2Cl)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102464364 NBZVXCHOQQMHKA-RDCUYDPYSA-N 559.479 4.896 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223144215 QCMJXVBVLQSXDG-WDYNHAJCSA-N 532.758 4.640 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408740055 CTCOWQUDMYEPLE-LPYMAVHISA-N 523.456 4.754 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C)c(C)c1 408809280 RGCZNSZPDDXNCI-SRZZPIQSSA-N 598.393 4.868 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1F 408889061 BIFOHXIOHKCNAU-YBFXNURJSA-N 510.905 4.829 10 40 KJCB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O 409011804 HTYKHPYLLNVOEI-IQJJTXKVSA-N 530.602 4.912 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 409014643 XUDWMCCNVFKXRD-LDADJPATSA-N 531.229 4.834 10 40 KJCB COC(=O)COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br 409034161 PNFDDQHOSABMNH-BJMVGYQFSA-N 519.220 4.503 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4ccccc4)c(OCC)c3)C2=O)cc1 409059731 XIXXDPGPTKXYRI-HYARGMPZSA-N 655.445 4.773 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1C 409261971 FRYOOCIEPPLNEL-FYJGNVAPSA-N 521.932 4.780 10 40 KJCB CCc1ccc(N2C(=O)[C@H]3[C@@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 97951757 IDGKTPAFWVYTSK-XPWALMASSA-N 530.374 4.707 10 40 KJCB 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629.807 4.703 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C 409231835 MTFQFICRSHRASO-WOJGMQOQSA-N 508.918 4.639 10 40 KJCB Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)c1C 409254074 CSCDOVRFVBKVSP-HMAPJEAMSA-N 503.942 4.641 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)C2=O)cc1Cl 409270405 FMAJGZDRLLWDLU-LPYMAVHISA-N 517.969 4.949 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 409328309 RUMHSORZBXBWTF-MFOYZWKCSA-N 600.412 4.556 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409406172 JPHGIBNFGMEYNZ-NDENLUEZSA-N 570.827 4.980 10 40 KJCB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OS(=O)(=O)c4ccccc4)S3)CC2)c1 9470120 YVQAKXRRJVXRKW-NCELDCMTSA-N 519.648 4.555 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccc(N(C)C)cc4)[C@@H]3C2=O)cc1 11907986 SWBOOCXVDUTPMY-SDHOMARFSA-N 519.985 4.634 10 40 KJCB 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523.549 4.746 10 40 KJCB O=C1[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1Br 100414745 ISIBLZKQBMQDTC-ACRUOGEOSA-N 581.216 4.907 10 40 KJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)CC1 101350623 NWLAOTPMBHINEF-REPVBDINSA-N 523.424 4.524 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC 225290024 PJHGHPZBTDHJRE-WUFINQPMSA-N 542.665 4.655 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br 408722784 NDBHOBDSOWCZER-LFYBBSHMSA-N 530.625 4.705 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Br)cc(I)c2O)C(=O)NC1=S 408740777 IBCFRDOBGQEVLP-SDQBBNPISA-N 622.076 4.662 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc(Br)c1OC(C)C 408874365 BOMPFRQOWTWVGD-BOPFTXTBSA-N 501.377 4.864 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc34)C2=O)cc1 408889447 HDFBFKCKKICQSB-KOEQRZSOSA-N 526.570 4.891 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409246979 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Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 225506594 UYUARWIUEJXWHA-RRPNLBNLSA-N 525.634 4.799 10 40 KJCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 408786501 RKNVDIUFXFOXRW-VXLYETTFSA-N 602.768 4.888 10 40 KJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Br)c1 408800294 LQJWJTQEWJEBCH-RGVLZGJSSA-N 536.338 4.911 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 408829048 KHZCFLNHSXPVBS-HDFSHUSISA-N 599.709 4.693 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2ccccc2)c1 408835415 YRWGHXWCRRIFOG-YBFXNURJSA-N 522.941 4.611 10 40 KJCB O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(Br)c(I)o1 408853628 VKMRJMORPQFUTJ-XBXARRHUSA-N 555.937 4.620 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 408857888 PKEPIHCGZUTOMI-PKYOQBLNSA-N 599.709 4.691 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OCc1ccccc1F 408941735 PODOLSKYDVJKJF-VCHYOVAHSA-N 569.339 4.540 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)N1CCOCC1 409256326 NRMMWVCLSMXAFP-XKZIYDEJSA-N 533.071 4.691 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409362005 FDXDRYATZQQSTH-NHDPSOOVSA-N 643.409 4.740 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OCC)c3)C2=O)cc1OC 409384743 FRRYVVSBEAQPCS-JLPGSUDCSA-N 603.628 4.575 10 40 KJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCC1CCN(C(=S)Nc2ccccc2)CC1 100163424 KRGKHTULBUBTQY-PTGBLXJZSA-N 506.632 4.680 10 40 KJCB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 103870316 GQMGQWZIFNHEGG-SRZZPIQSSA-N 523.998 4.676 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@@H](c1ccc(F)cc1)OC21C(=O)c2ccccc2C1=O 169618125 KXFPUEAMDGWNNW-NJDAHSKKSA-N 509.411 4.540 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408805353 AKHFXGRXYNAREG-RGVLZGJSSA-N 510.905 4.742 10 40 KJCB COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 408843417 FJYJZORYZWDEAG-WGOQTCKBSA-N 534.634 4.590 10 40 KJCB COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1OC 408854094 XJOPXFHBIWYBBL-YRNVUSSQSA-N 516.200 4.604 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 408959836 GQOVMDKFRACDIB-DEDYPNTBSA-N 535.350 4.701 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCC(=O)Nc2cccc(C)c2)c1 409041914 KVLCRXMBZIFPLQ-WSDLNYQXSA-N 533.968 4.649 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409084102 PEPPJLYPDOOJEN-RLGZEVEKSA-N 679.431 4.797 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 100762118 FDWCCDHQBYQHMU-NKFKGCMQSA-N 562.717 4.528 10 40 KJCB CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 101006998 QMDGZYDHZZNGMY-JCMHNJIXSA-N 526.636 4.992 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 112246248 DLRCXLIBIOSXMW-XDHOZWIPSA-N 536.338 4.911 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 408740409 KCPJQMMWCAISAG-UDWIEESQSA-N 537.366 4.712 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1 408812802 NLYZILBZFFDDQY-CIAFOILYSA-N 643.390 4.852 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408819650 YHQUGSRTSXMWNS-CIAFOILYSA-N 506.942 4.911 10 40 KJCB CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1I 408842851 CIBKXMMDHKUXDV-OVCLIPMQSA-N 569.193 4.736 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1Cc1cccc(F)c1 408871236 YYJKJUMGIAUGCX-NDENLUEZSA-N 572.399 4.861 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408902409 IQIWTWNAPGYRRY-CIAFOILYSA-N 551.958 4.870 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1 408967433 RHPKPSDWUSQDFG-YBFXNURJSA-N 511.962 4.505 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409033533 FMHDEXANTOOHEJ-HNVAQCFTSA-N 657.789 4.719 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409070183 XWWIDKSHMQIXPF-UDWIEESQSA-N 612.376 4.634 10 40 KJCB Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 409072813 DSGZWALKAPSHGT-LQKURTRISA-N 525.649 4.966 10 40 KJCB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 409229632 SCLCQIWJXSJCMW-RGVLZGJSSA-N 513.381 4.941 10 40 KJCB COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409326339 AMASLRUUTVQRRQ-WSDLNYQXSA-N 566.573 4.935 10 40 KJCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)c2C)cc1C 3348458 IPKCQMOWIZRDJU-UHFFFAOYSA-N 514.669 4.599 10 40 KJCB O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1OCc1ccccc1 9282628 IMFOHEKMBCHBPU-BWAHOGKJSA-N 500.580 4.966 10 40 KJCB CCc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]23)cc1 13739096 WHSJPZOOLKZZRC-XPWALMASSA-N 519.475 4.963 10 40 KJCB CCCCN1C(=O)/C(=C/c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 97946209 AHHZEWNVNSJJKK-XLNRJJMWSA-N 554.141 4.984 10 40 KJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 103917342 NNHLFWJBIDRFQF-BKUYFWCQSA-N 540.030 4.649 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 164447113 LAWXJLVIEQMQHA-VGOFMYFVSA-N 631.071 4.582 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 223141712 VJMRUYMHDKRXPS-LOSJGSFVSA-N 540.531 4.556 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccccc1Cl 223184097 QIQZEKCLKNLPAP-IZZNHLLZSA-N 510.107 4.837 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 225216706 AUROPOGANVAPTF-WUFINQPMSA-N 555.660 4.949 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1 225506563 UYUARWIUEJXWHA-SXOMAYOGSA-N 525.634 4.799 10 40 KJCB O=C(O)c1cccc(Br)c1OCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1O 257240634 HUKYKFGNMCXWKL-UHFFFAOYSA-N 523.383 4.985 10 40 KJCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I 408857795 WOWBBZFPPWVISN-DHZHZOJOSA-N 547.201 4.828 10 40 KJCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1 408871375 ZHOYASQNSDTZNY-MOSHPQCFSA-N 511.372 4.999 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 408881324 KSPWHRQBLMNOEP-PXLXIMEGSA-N 585.432 4.590 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 408901372 XNKWKUAGUCAVLY-VXLYETTFSA-N 649.800 4.776 10 40 KJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1 408994613 GUDHGCJOPLKMPQ-CIAFOILYSA-N 542.304 4.676 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409224884 NPMQDQWKECRHOT-YBFXNURJSA-N 631.810 4.637 10 40 KJCB CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)SC1=S 409228510 AXUBUPNDMRKMGZ-WQRHYEAKSA-N 584.457 4.547 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)Nc1ccccc1Cl 409245350 RHFYFMKDBFCSSG-SXGWCWSVSA-N 574.849 4.850 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4C)c(Br)c3)C2=O)cc1 409257204 RIUXLIOCLCVRAJ-ODLFYWEKSA-N 671.298 4.991 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(Br)c1OCC 409349242 VNLQKOYUGVVCAK-LDADJPATSA-N 537.457 4.801 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 2209978 LTYALSLLBKTIJI-DSITVLBTSA-N 523.545 4.859 10 40 KJCB CCOc1ccc2c(c1)N(C(=O)C(F)(F)F)C(C)(C)C(=S)C2=C1SC(C(=O)OC)=C(C(=O)OC)S1 8431793 MXACKSCCBDZBOC-UHFFFAOYSA-N 547.598 4.849 10 40 KJCB CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCC3)cc2)c2ccc(C)cc2)cc1 10113576 CKXARZJIUNNKSO-UHFFFAOYSA-N 507.656 4.506 10 40 KJCB Cc1nn(C)c(C)c1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)C1=O 408526584 CPOQNHZACVHYKO-DEDYPNTBSA-N 552.473 4.846 10 40 KJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408533272 OIEOGKVOPZKRHQ-CLCOLTQESA-N 647.521 4.527 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccccc1Cl 408692213 HFOVHWOJXLZZLD-LICLKQGHSA-N 580.806 4.937 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1 408755682 LPVNVNLQYSNQAC-LBAFKOQDSA-N 537.685 4.782 10 40 KJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C2=O)cc1 409095066 BDOBRECRCHDUPX-BUVRLJJBSA-N 533.606 4.954 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Br)c3)C2=O)cc1OC 409140975 GCCFVFBSGWKHKK-HYARGMPZSA-N 643.512 4.985 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 409219528 NNKRQOILHXVATE-FYJGNVAPSA-N 552.356 4.581 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O 409240214 FWXKDKRYUGTQSC-ZHZULCJRSA-N 508.372 4.922 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409251589 ANEIKIUHMIFMGM-HAHDFKILSA-N 529.618 4.551 10 40 KJCB CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)c1 409273968 AWJGNGBIGQFGBE-ZDLGFXPLSA-N 506.447 4.912 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Br)c3)C2=O)cc1C 409382747 OKGOXBDNPBUCCL-UNOMPAQXSA-N 566.383 4.889 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409384223 CHRZAWVMEWNTKK-HZHRSRAPSA-N 531.590 4.966 10 40 KJCB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NN1CCCc2ccccc21 8819289 PTDZHZNGBGOFJC-RGEXLXHISA-N 502.459 4.524 10 40 KJCB O=C(NC1CCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccco1 13025039 OLFCDKGMXWJLJP-MHZLTWQESA-N 505.590 4.698 10 40 KJCB O=C1C[C@@H](c2cccc(OCc3cccnc3)c2)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1 108449054 QWVCKKJTCIBROA-IBGZPJMESA-N 539.496 4.697 10 40 KJCB biogenic O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Br)[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 169617131 ILPOXZUIIHPZKN-NJDAHSKKSA-N 536.765 4.798 10 40 KJCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408686903 NTOWDXBKPWWEGQ-PFBJBMPXSA-N 524.573 4.523 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br 408769471 MRHIMNCDVIHWBW-ALUWMOPFSA-N 681.565 4.894 10 40 KJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C(=O)NC2=S)c1 408786652 LPRQVOSVJHSVNW-UDWIEESQSA-N 598.418 4.708 10 40 KJCB CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408899704 PYYIHXKEQSBFMA-ZNBBLSJYSA-N 548.377 4.760 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 408980380 WBQCQGJSOKYHKT-DDBFQISPSA-N 582.726 4.737 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 409044924 FHJAZNSEGQTVBQ-XSFVSMFZSA-N 503.942 4.641 10 40 KJCB COC(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 409130868 VGMJDBWMCSEYHN-UKWGHVSLSA-N 531.453 4.987 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4cc(C)cc(C)c4)c3)CC2)cc1 14154274 KCVHDZAGUNWVAR-UHFFFAOYSA-N 514.047 4.729 10 40 KJCB N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102477264 LFCYSOPXERHLCP-FEUAQRDNSA-N 502.383 4.885 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc(C)c1 408694231 GSVYDYLSBIBQAI-UDWIEESQSA-N 574.415 4.982 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 408773998 NRDOIWYJLZBIAS-RGVLZGJSSA-N 612.376 4.552 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 408952386 NNWHRLUWMNJGIC-CAOOACKPSA-N 542.773 4.905 10 40 KJCB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(CC)CC)cc3OCC(F)(F)F)c2=O)=N1 409029728 ASKZPIPEANFDMC-LWUPDDLQSA-N 573.637 4.586 10 40 KJCB COc1ccc(C)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 13025133 UASCIPOHQLQJTQ-NDEPHWFRSA-N 517.626 4.880 10 40 KJCB COC(=O)C[C@H](c1ccc(OCc2ccccn2)cc1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971944 FXDPZDFSZPIVGS-HXUWFJFHSA-N 571.538 4.657 10 40 KJCB biogenic COc1ccc(S(=O)(=O)Nc2cc([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)cc1 100822686 UDAKBIGLIUGSIY-FQEVSTJZSA-N 525.501 4.521 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O 223176205 FVYQIWQMNNJNFG-IZZNHLLZSA-N 526.106 4.543 10 40 KJCB COC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1I 408846127 IPQVLJCNTRPQDD-BJMVGYQFSA-N 670.106 4.744 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Br)cc1 408887113 MDIOCIBJHFMATA-XDHOZWIPSA-N 575.824 4.845 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)cc3)C2=O)cc1 408888284 YOJKBZZTDWLTTL-KGENOOAVSA-N 507.340 4.703 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408898087 KMYXCDWKMIFJEH-UDWIEESQSA-N 646.459 4.659 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(Cl)cc1 409102444 SXCYPCBJTBGEDR-CSJROMOCSA-N 567.155 4.612 10 40 KJCB COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1 409238530 DTQPAGJVYFTJDY-MSXFZWOLSA-N 552.605 4.982 10 40 KJCB COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC 409342262 CZUNHNQVSDNKME-VCHYOVAHSA-N 569.442 4.874 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(OC)cc1 409380092 HNFIASLEXNNQBK-LPYMAVHISA-N 563.994 4.740 10 40 KJCB O=C(NC1CCCCC1)[C@H](c1ccc(N2CCOCC2)cc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21 905917 UIVPNOKQZYTSME-PMERELPUSA-N 572.735 4.548 10 40 KJCB N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 9161291 VHMXRTVIASBQHH-CGYHDWOCSA-N 510.623 4.711 10 40 KJCB Cc1cc(/C=C2\C(=O)N=C(O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59109563 QGBAULOEIJSMNJ-XQNSMLJCSA-N 519.602 4.992 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c3ccc(OC)cc32)S1 97999412 XOBZMWYOEIFBOS-CQSZACIVSA-N 638.745 4.581 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 101130316 NUNQACXOXMZKRD-PCCBWWKXSA-N 554.755 4.937 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1F 103844360 XJJAHUURENQDHF-GIJQJNRQSA-N 583.366 4.961 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409044932 DKFPICXVFOKLKX-VXLYETTFSA-N 540.359 4.686 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 409057251 JHIBTTVTSDYOKZ-YOWYGEOISA-N 595.721 4.553 10 40 KJCB CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC 409239060 GBIOSDXWPOLGTL-NTEUORMPSA-N 507.768 4.875 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409250282 MWVAOHAZNVLQAN-LICLKQGHSA-N 514.390 4.930 10 40 KJCB O=C(COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc(F)cc1 409361215 AYGLRFDEDGUCSX-UDWIEESQSA-N 572.774 4.926 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3ccccc3OC)C2=O)cc1 409377485 IRLHXTXQJPITPP-RCCKNPSSSA-N 594.418 4.540 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)C2=O)cc1OC 409378468 PQXPJZIESYJSTF-XKZIYDEJSA-N 668.497 4.948 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)C2=O)cc1 409386051 NNUIBORRNSFSTL-KGENOOAVSA-N 533.606 4.798 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 2237457 XNMNJPDVUQJYSG-HZHRSRAPSA-N 501.608 4.719 10 40 KJCB O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 10113220 RRKBEAXFFPIBBP-UHFFFAOYSA-N 516.038 4.981 10 40 KJCB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408533586 SZPZZOYRLSAMKW-LGMDPLHJSA-N 542.381 4.582 10 40 KJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)c(I)c1 408692118 DUYNQJYJPPNRFW-WOJGMQOQSA-N 642.231 4.879 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 408769105 NXDUXEJBUNYIHK-RISWYLRJSA-N 550.055 4.998 10 40 KJCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(I)c(O)cc1O 408854090 XHLSSDQYZYWKEY-DNTJNYDQSA-N 584.410 4.837 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3C)c2=O)=N1 409053741 HMIHQJMARXMPCQ-ACJNQYEBSA-N 552.675 4.922 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409098898 RFTSKYDYXMLEPS-KFOJKGMOSA-N 656.805 4.623 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1OCc1ccc(C(=O)O)cc1 409185198 UCWQTVGEHDSPOJ-SFQUDFHCSA-N 541.343 4.946 10 40 KJCB CN(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1 13496346 YZWJNGQRVWEGBV-RUZDIDTESA-N 502.692 4.766 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cc1 225267915 NDJACTYVZCFRSG-FQEVSTJZSA-N 512.503 4.698 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225679809 HFQOEWAOUINNRO-QFIPXVFZSA-N 513.704 4.526 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408694254 HMMMMMRAPYFMDM-YBFXNURJSA-N 605.385 4.582 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1O[C@@H](C)CC 408901579 YYHMUVVEOCIMNE-LZNAANCOSA-N 501.377 5.000 10 40 KJCB COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 409046204 JDHIHQOKSRIGTP-OVCLIPMQSA-N 508.166 4.503 10 40 KJCB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 409221918 VULMFOQHFVMTSN-OVCLIPMQSA-N 504.749 4.908 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OC(C)C)c(OC)c3)C(=O)NC2=S)cc1 409388713 VSACBMNOWGHPBS-LICLKQGHSA-N 503.418 4.639 10 40 KJCB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 8820085 VMEVDDMTSCTRSO-HKWRFOASSA-N 513.597 4.782 10 40 KJCB COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1 20287272 UEARSTLZQTUFMM-STZFKDTASA-N 501.033 4.871 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 26503361 RABMGZANKJBSTK-KIDPUWIBSA-N 504.681 4.887 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)cc1 225413069 VLULZDQQFZHGFT-KAYWLYCHSA-N 575.716 4.824 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 408889720 GDZHBWZBVNOCCS-YBFXNURJSA-N 646.821 4.985 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Br)c1OCc1ccc(F)cc1 409374445 PSZLFKOXBIUAFJ-VXLYETTFSA-N 543.345 4.821 10 40 KJCB O=C(NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cc(Br)cc(Br)c1O)c1ccncc1 669054 PGBBGJSVUXJAJK-SFHVURJKSA-N 597.061 4.986 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCO2 2144001 LVUBDEYPLUFPNL-AWQFTUOYSA-N 526.910 4.702 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 2178428 MBYUIMFBFNIOIJ-BWAHOGKJSA-N 558.631 4.813 10 40 KJCB CCCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 97946683 XCCJWRHFKDJSPF-GFMRDNFCSA-N 563.749 4.811 10 40 KJCB COc1ccc2c(c1)N(C)/C(=c1/s/c(=C3/C(=O)N(c4ccccc4Cl)N=C3C)n(Cc3ccccc3)c1=O)S2 100081888 FCTSKAUHGFVOGO-CIMIHRMLSA-N 575.115 4.501 10 40 KJCB COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 101079219 DLRSRLTZGMJFGE-DDSBZIKFSA-N 533.997 4.869 10 40 KJCB COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223190968 FDBPEJIKYJSIQL-KAYWLYCHSA-N 540.133 4.846 10 40 KJCB Cc1cc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)ccc1I 408744182 ZABVMSYUDSYYRV-CIAFOILYSA-N 511.388 4.777 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 408760485 ZLDGROLSRMSPLM-YBFXNURJSA-N 566.364 4.920 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408767759 GVVAPVCTXFIURC-JLKMOJGBSA-N 537.685 4.879 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 408800807 RDIFNRAEJGXQHP-UDWIEESQSA-N 511.303 4.539 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408805747 LFUVCXPLOQMPRN-YBFXNURJSA-N 507.886 4.502 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OS(=O)(=O)c4ccc(C)cc4)ccc4ccccc34)C2=O)cc1 408881679 MBJPPRRJSGXBFE-NLRVBDNBSA-N 556.596 4.981 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408891082 LATSZBOAEUVHNM-YBFXNURJSA-N 652.850 4.696 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@@H]1c1cc(OCC)c(OC)cc1Br 409059948 SSBDHDQKNJIATI-JBDHCHCMSA-N 640.600 4.877 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409083003 KGYXHMYXCZORJI-LICLKQGHSA-N 553.827 4.523 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089730 JQWDPHQBMNJWHB-RQZCQDPDSA-N 568.882 4.719 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1cc(C)ccc1C 409260874 XUPANFOIHJQDDC-MTJSOVHGSA-N 684.443 4.899 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC 409340292 UERBQNBVRWBVJZ-BOPFTXTBSA-N 561.463 4.776 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccccc1Cl 409372832 NCJBUHWUJXEDQB-RQZCQDPDSA-N 545.773 4.945 10 40 KJCB COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c31)c(=O)n2CC(C)C 97971928 YRKQVTCDNXWTQI-LJQANCHMSA-N 569.566 4.997 10 40 KJCB biogenic COc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2OC)cc1 101155982 GWLQXZGJPCNKEE-ZFLZBDSRSA-N 543.605 4.614 10 40 KJCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1 103853199 NAIJYMYTHAAKBJ-QGOAFFKASA-N 558.372 4.841 10 40 KJCB COc1cc(N2N=C(C)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCN(c4ccccc4)CC3)C2=O)ccc1Cl 408526341 BAXUHHJXGOWIJQ-FXBPSFAMSA-N 558.042 4.976 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Br)C2=O)cc1 408878669 CRANPTWOUUKPKN-XSFVSMFZSA-N 507.340 4.703 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5cccc(I)c5)c4C)c(=O)n32)cc1OCC 408943947 ZSSLKABVKWAUAA-QICARQTCSA-N 683.568 4.828 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408946151 YFWYHRMJRHLWOJ-YBFXNURJSA-N 511.317 4.937 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 409058230 SIDYYLZKGKVCLW-MTJSOVHGSA-N 533.968 4.649 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccc(F)cc1 409059817 XSHRPJLWLDBZJD-PVPFEYIBSA-N 567.686 4.983 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409082365 JAPVURCKSQPYKH-LICLKQGHSA-N 572.408 4.989 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(Br)cc1 409156154 SGQLZRVXLPYKQG-VXLYETTFSA-N 571.361 4.781 10 40 KJCB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCCC2)cc1 100079085 XCGZITSFFMNTNP-UHFFFAOYSA-N 589.499 4.793 10 40 KJCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 103849707 IBYJJXPPDZQJTB-YBFXNURJSA-N 587.301 4.584 10 40 KJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 103867705 SMWIBXRHPGLCCR-XYOKQWHBSA-N 515.216 4.780 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1 408870248 VQOKFFNZVLNLNU-ONUIUJJFSA-N 512.562 4.586 10 40 KJCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 408913152 LGJAKSIETADMSQ-VXLYETTFSA-N 560.294 4.815 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c1OCc1ccc(C(=O)O)cc1 409188014 WIGSJSOMTFOYKN-DEDYPNTBSA-N 581.444 4.875 10 40 KJCB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c2)c1 409258822 VOCHHNLHOFWRLE-LPYMAVHISA-N 503.942 4.641 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 409381394 FVCHQAJSUKGVND-HZHRSRAPSA-N 530.602 4.756 10 40 KJCB COc1ccc2c3c(n(CCCCCC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c(=O)c2c1OC)-c1ccccc1C3=O 604406200 YUNSQXOOETXBPF-YADHBBJMSA-N 593.680 4.598 10 40 KJCB biogenic CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1 63766941 RMFBHSJMKKLQMX-ZSOIEALJSA-N 513.266 4.689 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 100414098 FNXVYEXICLKDEB-NJYVYQBISA-N 536.765 4.798 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 103850375 ZXKWUIMEEXMJOJ-RGVLZGJSSA-N 583.366 4.931 10 40 KJCB Cc1ccc(OCCn2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c3cc(Br)ccc32)cc1C 104882213 MQMYXYAYCVVRSS-UHFFFAOYSA-N 526.456 4.698 10 40 KJCB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1=O 408530320 DYXBAMKUCKUWQD-RGRQOOPWSA-N 592.358 4.651 10 40 KJCB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408686905 NTOWDXBKPWWEGQ-QKDODKLFSA-N 524.573 4.523 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc(Cl)c1OC(C)C 408828329 DQEHOCXFISLPPT-VGOFMYFVSA-N 523.369 4.863 10 40 KJCB CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)c(=O)n32)cc1OCC 408938912 SQAOGZMIYSCZGV-HJRUQSCCSA-N 585.726 4.840 10 40 KJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1 409018723 YQYDIEDNZGCKGQ-CVKSISIWSA-N 541.604 4.645 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)cc1Cl 409059688 WZMROGRNSHLFHY-LFYBBSHMSA-N 514.557 4.545 10 40 KJCB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 409151998 IWJGQWXOXGOJHW-RGVLZGJSSA-N 520.519 4.635 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCc1ccc2c(c1)OCO2 409398500 BLNFGNBPMIEHEA-YVLHZVERSA-N 557.784 4.880 10 40 KJCB COc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCCCCCCC(=O)O)C2=O)cc1 8870094 BYLLASBHOFXJNJ-DYTRJAOYSA-N 506.690 4.998 10 40 KJCB Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 8914579 KFZSFDRDLGDGKF-VIZRJVHBSA-N 502.644 4.849 10 40 KJCB O=C1[C@H]2[C@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(I)cc1 100414980 IEBQUBUMHBYULD-HKBOAZHASA-N 583.765 4.640 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OC 408767014 UUTFUULREUPVCL-RIYZIHGNSA-N 538.192 4.594 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408804499 AMHGUHVDYXWKAT-CIAFOILYSA-N 579.949 4.679 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(OC)c1OC 408941368 WJRZEKIEGGLBOV-CIAFOILYSA-N 522.941 4.611 10 40 KJCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(CCOC)C(=O)N(c3ccccc3)C2=O)cc1Br 409016869 UAKNYPDWXFJAGB-BAACNHRGSA-N 501.377 4.652 10 40 KJCB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409091353 PPVBJWAHPAAIEC-WQRHYEAKSA-N 542.382 4.981 10 40 KJCB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 409249601 KNWQLEPTMWBFEI-UCQKPKSFSA-N 568.415 4.793 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccccc1C 409260907 YJEHBIPXQPUIRF-JVMBGAFUSA-N 512.653 4.791 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409269201 GYTKHFMLQVMYIY-OYKKKHCWSA-N 527.577 4.613 10 40 KJCB O=C1C(=Cc2cc3c(cc2Br)OCO3)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 3032446 QUFZIVZGBBXTEC-UHFFFAOYSA-N 507.365 4.926 10 40 KJCB COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 8443658 JIHGKHHYZGFSTF-NDENLUEZSA-N 594.418 4.988 10 40 KJCB COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1 8743723 LJECRXDNKHOFLX-NKFJNAIASA-N 504.593 4.882 10 40 KJCB O=C1/C(=C/NCCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 100401904 ZITWASAHUMFYAQ-CAPFRKAQSA-N 528.103 4.640 10 40 KJCB CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C)C3=O)c2)CC1 101148924 LMSBUKFBCUWNLK-KQWNVCNZSA-N 538.720 4.791 10 40 KJCB C/C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103921236 BGTGNCRSLPGNRU-XHPQRKPJSA-N 554.588 4.928 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C 223503919 JRVIEHSEFMQQKS-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1NS(C)(=O)=O 225481800 AXSVPGZGFISJGI-SXOMAYOGSA-N 591.715 4.745 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)cc(Br)c3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 408537509 VUWOGGFZOVCECW-NVMNQCDNSA-N 644.228 4.835 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 408768018 RZTVTTFGFYJKRK-GBIJUZDQSA-N 571.674 4.627 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)ccc1I 408775843 SNGNXALSUMALTO-LDADJPATSA-N 559.404 4.978 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Br)cc2)c1 408803100 LFZOIVSFSUIQBY-FYJGNVAPSA-N 507.340 4.703 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 408813402 NCOOYOPGFVCNLT-RGVLZGJSSA-N 584.366 4.559 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Br)c1O 408856444 ITGPIQNKJXUYTH-UXBLZVDNSA-N 516.200 4.692 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(I)c1 408953339 PWUAGWLTKLJBJH-RQZCQDPDSA-N 602.768 4.919 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 409042789 XTJVCUGSUXQHDP-AJAYTNACSA-N 664.180 4.810 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409086787 WVPTVRXVZAMQSN-VIZOYTHASA-N 559.274 4.974 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c(OC)c1 409095400 AZHKTPCQMZWLHF-FYJGNVAPSA-N 515.566 4.677 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)c(Br)c1O 409228583 ZNDZBZCTMQRROQ-MDWZMJQESA-N 554.260 4.764 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccc(F)cc1 409371267 BUFQBRGLBGQRBF-VXLYETTFSA-N 590.345 4.663 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1cccs1 2987521 GVNPAYCNWCCRAP-YMSBRDKKSA-N 538.094 4.921 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 13646632 RABMGZANKJBSTK-QLCJNQITSA-N 504.681 4.887 10 40 KJCB O=C(CSc1ccccn1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CSc3ccccn3)cc1C2=O 98023088 WGAQTWLJXGNPGL-UHFFFAOYSA-N 540.626 4.714 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)C2=O)cc1 408881961 PEQBXMIOHNGCLC-KGENOOAVSA-N 524.982 4.645 10 40 KJCB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C1=O)OCO2 408955956 VJPBXGDYPCVNDE-LSFURLLWSA-N 500.551 4.558 10 40 KJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408967109 PVDAWUWRYWQYLH-NTEUORMPSA-N 505.310 4.922 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409050447 VSIXWRVSGVEOCA-WOJGMQOQSA-N 554.386 4.994 10 40 KJCB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)c(Br)c3)C2=O)cc1 409105964 PULMSOLXEPLTIH-XDHOZWIPSA-N 504.406 4.589 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 409143082 YWWQQDSDYPWQOD-LFVJCYFKSA-N 500.551 4.725 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1 409251933 AMTNLPHAGYOYNT-MOSHPQCFSA-N 550.434 4.606 10 40 KJCB Cc1ccc(COc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 409399599 KFZWPQBRCOWPAA-ODLFYWEKSA-N 508.328 4.706 10 40 KJCB O=C(COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1 409400469 RKFNRVJUJYMKGF-GRSHGNNSSA-N 544.764 4.721 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)ccc1OC(=O)c1cccs1 41108081 CRYNPHMICRWFKJ-ACKDDNJSSA-N 502.577 4.952 10 40 KJCB COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 57015921 JWWSIDBFOPYJAT-MHECFPHRSA-N 506.093 4.640 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414217 SBJMOADHEGSXKL-RJGXRXQPSA-N 564.377 4.865 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 408868376 OEZUSGGEBRVBGF-ODLFYWEKSA-N 615.405 4.618 10 40 KJCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 408917039 LHYSLLCLJPAMCR-UNOMPAQXSA-N 511.372 4.999 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408946746 AXLJUBPYGPWPCB-GIJQJNRQSA-N 539.313 4.562 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408967224 RCSOWYQQNDXTBB-RQZCQDPDSA-N 528.949 4.635 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409001524 WKJYUCSHYWBOFP-LCQSEVKBSA-N 664.578 4.764 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409076086 XPANJVDUCBHKFL-CPNJWEJPSA-N 606.248 4.646 10 40 KJCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409267290 ULVDNCYMTAWKEH-ZDLGFXPLSA-N 521.458 4.971 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2377827 MNANHCXGYXVVLQ-QJOMJCCJSA-N 549.697 4.612 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccncc3)c3ccc(C)cc32)S1 97950999 LRKPZZLNONLGRR-UHFFFAOYSA-N 526.661 4.905 10 40 KJCB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 97957617 MQAPUNPSAKDJJW-LPYMAVHISA-N 529.599 4.925 10 40 KJCB COc1cc(C(=O)Oc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 408533053 JGBBLMVNFJHGMC-NDENLUEZSA-N 595.402 4.669 10 40 KJCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 408537557 WFZVYDQHSGLUPN-AROKFOENSA-N 551.433 4.899 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(I)c1O 409039882 XESZGTPHAREXCD-WTKPLQERSA-N 538.210 4.897 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C 409062289 RIIQGNCTXFWGKM-XYGWBWBKSA-N 514.578 4.762 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 409106033 KLOUPDICDPZUCN-HSUOJCLFSA-N 554.716 4.520 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c1 409270120 CJTZRECQLFGTDK-MTJSOVHGSA-N 548.939 4.549 10 40 KJCB CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O 8395903 FQCPZAPVTQPBRQ-UHFFFAOYSA-N 638.745 4.583 10 40 KJCB Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc(Cl)c1Cl 8778088 YIYADOKPLOAXOA-STZFKDTASA-N 546.476 4.939 10 40 KJCB N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 9282045 DHHGSNZFLCVYBP-XGCFFSCVSA-N 508.003 4.551 10 40 KJCB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1C(F)(F)F)C1(O[C@H]2c2cccc(F)c2)C(=O)c2ccccc2C1=O 100415452 PGSHGPYRJVJDQT-HBMCJLEFSA-N 509.411 4.540 10 40 KJCB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(I)c2)C1=O 101005177 NWGUORAGMYUPJD-BOPFTXTBSA-N 524.405 4.530 10 40 KJCB COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12 108449656 JUXMWPLIALIRTK-LJQANCHMSA-N 539.540 4.533 10 40 KJCB biogenic COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408756179 ODBLUAIWEOMFIL-NDENLUEZSA-N 581.444 4.875 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 408947365 CFKKBPMIYPHBHE-REZTVBANSA-N 739.216 4.778 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C)cc1 408956478 XGQCOPGPNYEIQD-DJKKODMXSA-N 612.376 4.582 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC 409021106 XYIGVTYDGKISDI-YBEGLDIGSA-N 570.836 4.916 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C 409257712 RXWJWHVSCNILBZ-JCMHNJIXSA-N 514.669 4.957 10 40 KJCB O=C(COc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 409262933 KSGMJZUOFGVQNV-MOSHPQCFSA-N 570.852 4.951 10 40 KJCB Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)c1 9459349 LOXSXAUUNKXYPN-DCAHJCEHSA-N 510.623 4.630 10 40 KJCB Cc1cc(/C=C2/C(=O)N=C(O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 13799922 GXTLEHNDPSWLTK-XKZIYDEJSA-N 507.388 4.793 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 97946641 NOMXMCMMWIFTBQ-PZLPMSIKSA-N 528.659 4.550 10 40 KJCB CCCCNC(=O)CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NCCCC)C2=O)SC1=S 101002497 BPFHULNWIZYZBB-QURGRASLSA-N 600.898 4.872 10 40 KJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C 223689463 IQLRHYDTFORHEG-GOTSBHOMSA-N 513.461 4.787 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 225216116 LYQKOVNNICLPAB-NSOVKSMOSA-N 527.650 4.957 10 40 KJCB FC(F)(F)c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225956578 OSBBBZSSDCWCNX-UHFFFAOYSA-N 541.647 4.909 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3c(C)cc(Br)c(C)c3[N+](=O)[O-])C2=O)c(C)cc1Br 408531843 OTWFYWCTLKCUNM-MDWZMJQESA-N 566.206 4.932 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OC(C)C 408812284 MNWAQQLICDTAIT-VIZOYTHASA-N 554.768 4.715 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCC4)c(C)c3)c(=O)n2[C@H]1c1cc(OCC)c(OC)cc1Br 409062531 WHJYTSIMEIFAGH-PIXWUVMMSA-N 640.600 4.877 10 40 KJCB COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C(=O)NC1=S 409173295 OREUKYHKPUDDPR-XDHOZWIPSA-N 557.413 4.539 10 40 KJCB COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1OC 409217975 RVWRTOOGSNSIDM-UDWIEESQSA-N 537.366 4.712 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409250072 LFPIZHFIHYBJHR-ZDLGFXPLSA-N 599.383 4.984 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 409270710 HJDPLWUKVBVXNK-MOSHPQCFSA-N 536.009 4.588 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O 409368422 UWACJOFFELYNOV-CAOOACKPSA-N 542.422 4.793 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3cccs3)n2)[C@H](C(=O)NCc2ccccc2)c2ccc(N(C)C)cc2)c1 887603 NBCGUWNERTVCTM-LJAQVGFWSA-N 565.703 4.867 10 40 KJCB COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 97966674 VAEMWYNJPPTXLO-BKUYFWCQSA-N 576.428 4.926 10 40 KJCB CCOC(=O)COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1I 408757692 BPILTGPDPLTEQZ-VGOFMYFVSA-N 739.098 4.575 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408806945 NQJAMNTUHZPTCE-RGVLZGJSSA-N 567.308 4.511 10 40 KJCB O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 408855560 OBOZVZYKYUAEMG-LPYMAVHISA-N 516.916 4.739 10 40 KJCB CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br 408983063 JZYDMQJTAONLJK-NSIKDUERSA-N 600.647 4.782 10 40 KJCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)N(CC(=O)OC)C2=S)cc1 409062523 WCHZPXKELXOBQK-IWIPYMOSSA-N 518.595 4.712 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C 409251079 ODDJDIHPHNHCDY-CIAFOILYSA-N 533.968 4.649 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 409255252 GUJRLSIJORPOIS-MTJSOVHGSA-N 636.455 4.545 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)c(Cl)c1 409329757 HSRIZUDVOIUYNG-UDWIEESQSA-N 513.000 4.953 10 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KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F 409190288 RNBALWVGGIZJMM-VCHYOVAHSA-N 542.386 4.525 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C 409224725 ITRYWMWACHSSQT-VXLYETTFSA-N 524.986 4.804 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409250183 LNZMSJRRJQXBDJ-JAIQZWGSSA-N 584.810 4.800 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)C2=O)cc1OC 409257695 UKMAYXRHLPJCNB-JLPGSUDCSA-N 557.603 4.785 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)sc2c1CCCC2 2299495 NZYIKGZPNLDTKH-RCCKNPSSSA-N 517.607 4.878 10 40 KJCB COC(=O)[C@@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(OC)=C1c1cc(O)c(O)c(CC=C(C)C)c1 31162766 LARSXHUKWMVHRB-PMERELPUSA-N 522.594 4.890 10 40 KJCB biogenic,in-vitro O=C1[C@@H]2[C@H](c3ccc(I)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 100517609 GEJXYVDYHQRDAH-FKBYEOEOSA-N 597.792 4.635 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 102766209 WWBLKXPKCIZNOO-UQJNUVEPSA-N 512.998 4.518 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)c(C)c1 408757417 MZHHWSUHBCSLFX-UDWIEESQSA-N 507.388 4.843 10 40 KJCB Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)cc1 408898350 LKUYTYDJMSPYRN-MFKUBSTISA-N 506.562 4.872 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 408957574 TYKNRSIVOIIARP-ORVZPOCUSA-N 628.589 4.813 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br 409076276 AKKCZSSQKWCHTN-UPWSPCOFSA-N 685.597 4.867 10 40 KJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br 409229331 NKICRPCOFWYGDB-UKTHLTGXSA-N 509.809 4.731 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1 409388633 VRGQMVZMBVZJFB-SOFYXZRVSA-N 507.376 4.655 10 40 KJCB COC(=O)c1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c3ccccc32)o1 409394121 VYKGEWXLWISKBN-UDWIEESQSA-N 562.376 4.807 10 40 KJCB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 618254474 CELFAVCJOCROPR-ZKFYFQMZSA-N 532.643 4.910 10 40 KJCB Cc1c(CO)cc(Nc2ccc(Nc3cc(CO)c(C)c(CO)c3)c3c2C(=O)c2ccccc2C3=O)cc1CO 4824969 UPDCTMNCKSYZOU-UHFFFAOYSA-N 538.600 4.535 10 40 KJCB CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 9301855 JGQQYZMTNUXFBN-UCXLZHGVSA-N 508.600 4.507 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC 15012888 ZUUQAVFAXQUZBU-DHDCSXOGSA-N 509.809 4.731 10 40 KJCB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(I)cc1 101006126 SVJDQINFXVOWSM-WQRHYEAKSA-N 552.415 4.640 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OCc1ccccc1 108422978 KAQDWZYEXXYTCL-XKZIYDEJSA-N 570.465 4.880 10 40 KJCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1 408857072 MRQJPVKISXAURI-MFKUBSTISA-N 506.562 4.872 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCCC)c(OC)c3)C2=O)cc1OC 409124848 DAUXYFUIOFPHLE-WOJGMQOQSA-N 516.978 4.597 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c(OC)c3)C2=O)cc1 409217938 FWAPGBHJCFRWIO-LPYMAVHISA-N 608.445 4.849 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C 12447826 HPDLYSXXZLKZMQ-FSJBWODESA-N 520.567 4.994 10 40 KJCB Cc1cc(C(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)c(C)n1-c1ccc2c(c1)OCO2 12546924 DVPWRBWYHLJOSC-UHFFFAOYSA-N 520.607 4.577 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 112246259 YIOVJIAQLFNIEO-YBFXNURJSA-N 566.364 4.920 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 150381581 LKHGRLYTSRKTJS-VCHYOVAHSA-N 694.219 4.839 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc2ccccc12 223137408 YBOHEXNJIYLRHY-URLMMPGGSA-N 511.695 4.947 10 40 KJCB CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 223183009 TYNTXBLSVQDRCR-IZLXSDGUSA-N 503.716 4.746 10 40 KJCB O=C1NC(=O)N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Br)cc1 408537352 VKIGNQYGAIHOOO-UYRXBGFRSA-N 617.193 4.939 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1 408899678 PUZDNIHYPMFQDD-HMAPJEAMSA-N 676.485 4.831 10 40 KJCB COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c1OCc1ccc(C(=O)O)cc1 409187256 OCLOHHYRFHNUIL-UDWIEESQSA-N 567.417 4.566 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409270247 OBMMDDODLQNJDB-WSDLNYQXSA-N 547.995 4.958 10 40 KJCB COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409338518 LGTQUNUXASGNCV-FYJGNVAPSA-N 539.660 4.629 10 40 KJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)C(=O)NC2=S)c(C)c1 409375471 LIEBUXGYUFDLJS-BUVRLJJBSA-N 513.619 4.769 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 1249597 OIUDVZXVYMCMAT-BWAHOGKJSA-N 554.697 4.710 10 40 KJCB O=C(NN1C(=O)c2cc(Br)ccc2N[C@@H]1c1c(O)ccc2ccccc12)c1ccc2c(c1)OCO2 2747139 XXJPNNUTBSHKEF-DEOSSOPVSA-N 532.350 4.948 10 40 KJCB C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)C1 9360559 PFJKPLWOIZKRDV-IVRIGKSTSA-N 504.681 4.621 10 40 KJCB CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 13025102 STLNZARLBMZNKL-NDEPHWFRSA-N 515.610 4.766 10 40 KJCB O=C1C[C@@H](c2ccccc2OCc2ccccn2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O1 97971836 JCDWPTAHMPUDGD-IBGZPJMESA-N 523.497 4.992 10 40 KJCB biogenic O=C1[C@H]2[C@@H](c3ccccc3Br)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 100596694 IVKRVKLMMFBHEO-QHAWAJNXSA-N 536.765 4.798 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 103866786 FJMAYNGDHLLZND-UDWIEESQSA-N 567.417 4.566 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 105500001 IPBWSGXNQLDZIU-FQWZWQHVSA-N 571.699 4.512 10 40 KJCB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c([N+](=O)[O-])c1 223466658 DMHDDZOILZOJOY-UIOOFZCWSA-N 514.611 4.974 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 408740436 KPIKQVQJQKITBW-UDWIEESQSA-N 525.330 4.842 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC(C)C 408836984 XKZJVKKXJLCRRB-NBQDTTAVSA-N 612.752 4.951 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409065923 LAAQWWSYKROEKN-RGVLZGJSSA-N 565.922 4.591 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(I)c1OC 409244854 JPXKSMPQJQGQSH-VGOFMYFVSA-N 576.334 4.549 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409252975 YIOBNBBNYMEIRF-YVLHZVERSA-N 572.421 4.678 10 40 KJCB CCOc1ccc(C(=O)N2CCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C(=O)N(C)CC2)cc1CN1CCCC1 643589304 UJRTXMOMFKFIJK-UHFFFAOYSA-N 626.798 4.715 10 40 KJCB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 16915333 XJTKDNNLVFZPBE-UHFFFAOYSA-N 510.571 4.535 10 40 KJCB Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)cc1 103596840 LHNMGYBHSNSVMH-SMIDNAKXSA-N 540.649 4.660 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)ccc1Br 408764225 SLOUPFGYHYIQLD-WOJGMQOQSA-N 509.312 4.691 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 408850722 DARBSUYOZDIBQB-KEBDBYFISA-N 622.428 4.569 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 408900751 UMZOFSSDARYPQM-SRZZPIQSSA-N 596.409 4.898 10 40 KJCB COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 408955325 UDUBOVZBSMRLOR-FOKLQQMPSA-N 516.594 4.847 10 40 KJCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409018909 WUUALPWMJLPVOL-YBEGLDIGSA-N 516.304 4.588 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1 409269358 HVLXJYXPNLEPNN-STZFKDTASA-N 564.461 4.915 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1F 409405640 IGXNFVWUKRWFBK-UNOMPAQXSA-N 558.347 4.869 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC 100390206 YYDOMOZSHKHRAV-GIJQJNRQSA-N 556.449 4.882 10 40 KJCB O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl 103793108 BZKVTPHSWSHNDZ-LSHDLFTRSA-N 534.996 4.938 10 40 KJCB CCN(CC)c1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cc(Cl)ccc3O2)cc1 225116831 FDEWBZCSBIIURJ-AREMUKBSSA-N 528.074 4.767 10 40 KJCB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1NS(C)(=O)=O 225483684 SKRJETLPDCHZGU-VSGBNLITSA-N 622.729 4.963 10 40 KJCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)CC2)cc1 408636123 LJIFHBDARQKWAU-UHFFFAOYSA-N 533.572 4.786 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(I)cc1 408769451 VFVGHATVBTUQRU-DEDYPNTBSA-N 570.408 4.710 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408785919 JURZJZKMVNWMRA-UDWIEESQSA-N 546.492 4.977 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1 408819648 YHQOOCYYKIVPKF-HYARGMPZSA-N 522.916 4.901 10 40 KJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(I)c1OCc1ccc(Br)cc1 409024151 AHARLBVOGUINHW-MFOYZWKCSA-N 587.233 4.748 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1OCC 409188545 CWWXMXZDSJTOJV-CXUHLZMHSA-N 507.370 4.852 10 40 KJCB Cc1ccc(C)c(NC(=O)CN2CCOCCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C2)c1 643589502 VMUYPGURJVDCLR-UHFFFAOYSA-N 529.681 4.581 10 40 KJCB CCn1c(=C2C(=O)c3ccccc3C2=O)s/c(=C/C=C2/N(C)c3ccc(-c4ccccc4)cc3C2(C)C)c1=O 8441245 QBCMOLPNMFBUGE-HEPXYTLMSA-N 532.665 4.919 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 103596679 MHNPYDFZPABWNR-YOEUJWOZSA-N 528.560 4.745 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 110203490 GBSBKBAUHGEKIS-UHFFFAOYSA-N 548.492 4.855 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 163561591 GNSJPBAYVMCPDT-RISWYLRJSA-N 641.506 4.950 10 40 KJCB CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223182699 OZCRWIRMLUJXEO-VSGBNLITSA-N 503.716 4.746 10 40 KJCB Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223188453 ACGMIWKFIRJZFC-VSGBNLITSA-N 503.716 4.801 10 40 KJCB CCN(CC)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c(OCc2ccc(I)cc2)c1 408606835 QYFXITUORRLGLL-XYOKQWHBSA-N 562.364 4.996 10 40 KJCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1 408880379 IQCYGYOJHRDEFI-PDGQHHTCSA-N 513.294 4.973 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1 409055011 HPRPNZQUKXGKQI-DEDYPNTBSA-N 564.392 4.532 10 40 KJCB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409079235 KQMRYJCOETZWRU-GZTJUZNOSA-N 513.384 4.778 10 40 KJCB O=C(NN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S)c1cccs1 409352924 ZOYJMOVSPHWHCY-VCHYOVAHSA-N 528.549 4.903 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 409378933 SLPBZBADBQJGHY-PDGQHHTCSA-N 537.931 4.562 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)C2=O)cc1 409383181 RZWAYDVFOCXPBW-CPNJWEJPSA-N 537.931 4.562 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 9282121 XTFSTEQYVAQKHZ-DDSBZIKFSA-N 511.563 4.675 10 40 KJCB COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 100286076 ZPVRWORGXDLZTO-WUXMJOGZSA-N 575.076 4.814 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)c(OC)c3)c2C)cc1 225442602 BQATWOFSESVSED-IZLXSDGUSA-N 605.742 4.833 10 40 KJCB Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 408918712 OCWRTHFWWIRMAJ-UCQKPKSFSA-N 512.566 4.559 10 40 KJCB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 409044309 BUEVDFPMIGOBPD-OQLLNIDSSA-N 526.156 4.806 10 40 KJCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1)N1CCOCC1 409350336 XNSMGVFJLLVJAZ-ODLFYWEKSA-N 509.436 4.637 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12 2224818 IKVJYZCLCGIDKT-DSITVLBTSA-N 523.545 4.859 10 40 KJCB Cn1cc(/C=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3cc(Cl)ccc32)c2ccccc21 8765149 NPMRRGOIGHIZJN-KIPGBIETSA-N 511.025 4.957 10 40 KJCB biogenic COc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 13765367 QBSIRRDZRBBXQW-UCQKPKSFSA-N 503.486 4.878 10 40 KJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 33592460 AISXWAGQCFICFS-WPWMEQJKSA-N 519.667 4.639 10 40 KJCB COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 97947413 LUPCPCLMEGTGJN-KRFWEUHSSA-N 572.712 4.601 10 40 KJCB COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 97958679 WGDLQURMICVIRI-HYARGMPZSA-N 537.410 4.994 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 103859031 ZCULLDXNHOWQIC-VCHYOVAHSA-N 542.773 4.875 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1cccc(Br)c1 223141657 VJMRUYMHDKRXPS-RPBOFIJWSA-N 540.531 4.556 10 40 KJCB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 408534853 MRRTWMYDNCCEPV-KOTFUQRNSA-N 562.332 4.643 10 40 KJCB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br 408535969 UVXCDJSDBPUFNW-WQLSENKSSA-N 505.170 4.820 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OC 408800043 NDUIRKXARWZOJF-WUXMJOGZSA-N 514.159 4.830 10 40 KJCB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1I 408949560 IIZKPOVXKBGQDV-FOKLQQMPSA-N 640.474 4.977 10 40 KJCB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409065725 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COc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Cl)c4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 100414597 JCLMWYCLVUYTFW-URVUXULASA-N 522.340 4.697 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408740902 JBACKBPWUZYJRU-HYARGMPZSA-N 517.563 4.712 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 408807745 OPFHXFKXWMLPKY-CIAFOILYSA-N 598.393 4.949 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 408967791 UXFNCWVQINZUQU-RQZCQDPDSA-N 528.949 4.635 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1OC 409125368 DAXMYPPHFZLWIP-XQNSMLJCSA-N 518.541 4.864 10 40 KJCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 409237962 JPKNSEASLDKWJY-WOJGMQOQSA-N 500.454 4.803 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Br)c3)C2=O)cc1 409363837 OBKFTPGCSXCONX-FYJGNVAPSA-N 582.382 4.671 10 40 KJCB COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 8914577 GOQYSVQBOVBHAS-ZVHZXABRSA-N 517.513 4.874 10 40 KJCB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2OC)cc1 13801251 NJSAIEZYGYMNSV-DCYIGYBVSA-N 511.621 4.703 10 40 KJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1c(C)cccc1C 97964611 JPMPJWPWASOZDQ-QPUILPENSA-N 526.387 4.983 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 101156909 LNDUMNMWNDUWSG-BHDDXSALSA-N 506.341 4.997 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1 103591965 XADWXIVMIFZDFG-UHQOKOQESA-N 509.035 4.769 10 40 KJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)c2C)ccc1I 209560056 FBHKMSUPUIJZLI-DEDYPNTBSA-N 539.373 4.982 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)N5CCCCC5)cc4)c(OC)c3)C2=O)cc1 408544557 UTHDZPLKLSYRRJ-ZXVVBBHZSA-N 583.641 4.965 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163658100 JRFRFEYVODZEFE-ZJTZAHLKSA-N 683.568 4.828 10 40 KJCB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ncc(Br)cc2Br)C1=O 408538101 JBJZVNZCQDZWRJ-XYOKQWHBSA-N 573.039 4.510 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408808775 NIDUEAUDBFWHDC-DJKKODMXSA-N 597.334 4.520 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCc1ccccc1F 408886439 HLNHNMLBXAYZJW-GIJQJNRQSA-N 525.876 4.641 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OCC)c3)C2=O)cc1 409089176 HRSIGXGTJWWPCC-DEDYPNTBSA-N 562.491 4.759 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C 409253765 CAPSJCVGNPXKON-CIAFOILYSA-N 547.995 4.958 10 40 KJCB CC[C@H](C)Oc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c1Br 409398535 BVYWFXOYVPFTMW-GQVHDAKQSA-N 524.209 4.859 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 2063098 JWMZSOYGMUPJRS-USDTVRPUSA-N 571.699 4.531 10 40 KJCB COc1cc(C(=O)NN2C(=O)c3ccccc3N[C@H]2c2cc(Br)cc(Br)c2O)cc(OC)c1OC 8443725 GUHLSHIDEGVJOM-JOCHJYFZSA-N 607.255 4.855 10 40 KJCB COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(C)C)cc4)[C@H]3C2=O)sc2c1CCCC2 101125727 SCUKSXPNAKBVMB-SDHSZQHLSA-N 531.634 4.531 10 40 KJCB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Br)ccc2O)C(=O)N1c1ccc(Br)cc1 102756110 YNSPZAUKPYUQCP-PCCBWWKXSA-N 544.199 4.968 10 40 KJCB Cc1cc(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)c(C)n1-c1ccccc1 103085945 DLJYOQGCMNYAOJ-UHFFFAOYSA-N 557.672 4.645 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)ccc1OCc1ccccc1Cl 108422716 SRJFUYFJRAQIHX-HMAPJEAMSA-N 526.014 4.771 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cccc(Br)c1 223185031 CVKPBGNCGIAXSP-FTJBHMTQSA-N 554.558 4.946 10 40 KJCB 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C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 16733620 ODEUHOYCJSUCNC-POKCEJIYSA-N 508.644 4.717 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 223530355 VDAGWFKGOSVIKU-UHFFFAOYSA-N 516.063 4.707 10 40 KJCB COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)c(OC)c2)cc1 225441895 NGFXQOASUZBJBH-KAYWLYCHSA-N 563.705 4.747 10 40 KJCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1=O 408536808 SNAOHHGLFIWQPC-KOTFUQRNSA-N 576.359 4.951 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408897543 XSWUNLGBWYPVST-HYARGMPZSA-N 660.486 4.995 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408918965 RFWZINFKDZMMPF-BKUYFWCQSA-N 521.526 4.543 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2c(Br)cc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 409039180 BURUXLIUWRCJFZ-YBFXNURJSA-N 636.274 4.660 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OS(=O)(=O)c4ccccc4)c(Br)c3)C2=O)cc1 409075599 ZCSGGLGXMKPVIR-WOJGMQOQSA-N 636.274 4.654 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1 409344373 IWPARTGUXTYRML-OEAKJJBVSA-N 524.595 4.968 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl)Nc1ccc(F)cc1 409365612 VAEHMHWJZCRACG-VXLYETTFSA-N 528.323 4.816 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(=O)Nc3ccccc3F)C2=O)cc1 409376315 XAKYTOGMFKIRBE-XSFVSMFZSA-N 537.931 4.562 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]23)cc1 13739097 WHSJPZOOLKZZRC-VJBWXMMDSA-N 519.475 4.963 10 40 KJCB CN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3Cl)c(I)c2)C(=O)N(C)C1=S 103856306 TWHSBPCKPNTHCN-UHFFFAOYSA-N 605.679 4.885 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)NC1=S 408739972 CCSWPCNBZFOLEH-GZTJUZNOSA-N 511.353 4.547 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 408771829 KLNOVRLREHODOA-RCCKNPSSSA-N 539.419 4.904 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(F)cc1 408775556 IKBMPELXKIHQCU-ZHGFHMGHSA-N 585.701 4.930 10 40 KJCB CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O 409041174 IWLFIGRKVQAIOO-UHFFFAOYSA-N 565.376 4.895 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1 409043916 BIYZSWFUPUKZCL-CIAFOILYSA-N 670.416 4.590 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(Cc4ccccc4)c4ccc(Br)cc43)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 409121443 ZXSQYWFIBYNUMO-PGFYKJRFSA-N 657.590 4.544 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409262845 JFBWMKWMQIOZPW-OCKHKDLRSA-N 599.383 4.903 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)C2=O)cc1Cl 409274518 OVVJOACXMPWHPT-KEBDBYFISA-N 556.936 4.680 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OCc1ccccc1F 409373255 GFTJSSPFZNFETR-VCHYOVAHSA-N 590.345 4.663 10 40 KJCB COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971950 RGGIAKOEQOFXEN-MRXNPFEDSA-N 530.485 4.943 10 40 KJCB biogenic CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 100366531 NISSAOMGLCBBPR-HZHRSRAPSA-N 571.449 4.788 10 40 KJCB COc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 408741232 HQSNMKIVVLLOEV-WUXMJOGZSA-N 528.096 4.952 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Br)cc1 408800040 NBZDJBPROKTZCY-UDWIEESQSA-N 507.340 4.709 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(Br)ccc2OC)C(C(=O)OC(C)C)=C(C)N=3)cc1 408944874 GZEVGYDOFWSXHE-LMSRTUJASA-N 598.563 4.804 10 40 KJCB Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2[N+](=O)[O-])s1 408988766 FVCMXXSUCBVJLC-VGOFMYFVSA-N 532.028 4.699 10 40 KJCB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)C2=O)cc1 409249346 TZSYCXZGFVIHAW-FSJBWODESA-N 536.566 4.695 10 40 KJCB CCCN1C(=O)/C(=C/c2cc(I)cc(I)c2OCC)SC1=S 409339884 MKNWUXVDBIWTSH-GHXNOFRVSA-N 559.232 4.906 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409407151 LHPACEHQTWNWAD-BKUYFWCQSA-N 550.409 4.635 10 40 KJCB CCCC(=O)N1c2cc(OC)ccc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 6471546 VMHORFIRLIMJBZ-UHFFFAOYSA-N 507.655 4.697 10 40 KJCB CCOc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 102444311 MQWYNHJJNBDACN-WQRHYEAKSA-N 526.299 4.682 10 40 KJCB Oc1c(I)cc(I)cc1CN1CCN2CCC[C@@H]2[C@@H]1C1CCCCC1 106917153 IPBVJTRJZHRMMT-MOPGFXCFSA-N 566.265 4.830 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1ccc(Cl)cc1 223184581 COAOBLMFGCOKHI-IZZNHLLZSA-N 510.107 4.837 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C 223541961 UNGBVUHVJCKCHK-CLJLJLNGSA-N 514.611 4.974 10 40 KJCB COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C 223689362 STYAMUICTSOHEI-XZOQPEGZSA-N 513.461 4.787 10 40 KJCB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O 408534114 LIQDYSAASBTXLA-IAJBPVHWSA-N 580.391 4.627 10 40 KJCB O=C(COc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)c(Cl)c1 408554730 ULDKGYHNGMTKQE-ZDLGFXPLSA-N 555.330 4.586 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OC 408755063 MIOXNALFOFKFLA-RIYZIHGNSA-N 538.192 4.594 10 40 KJCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O 409046290 JWUVMPVIKNWUKZ-BJMVGYQFSA-N 514.557 4.545 10 40 KJCB Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409270946 SDIIZGFLNNRXNV-FYJGNVAPSA-N 503.942 4.641 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1I 8425738 XIGIYRWVROLPPH-HKBOAZHASA-N 583.765 4.640 10 40 KJCB Cn1c(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccc(I)cc2c1=O 100023014 ZTSQZXRYVAOQSM-RGEXLXHISA-N 519.342 4.626 10 40 KJCB CC(C)C[C@]1(C(=O)O)N[C@H](c2cc(Cl)cc(Cl)c2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 103001699 QBRSUGNGRHYXKU-OVCNXMPXSA-N 511.789 4.672 10 40 KJCB CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN(C)C)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 254134202 MLCFJDJPAIZRMR-ZVSDEQOESA-N 754.874 4.816 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(=O)/C=C/c1ccccc1 408538271 ZUOFSMYFASTBRH-QNPJAKOKSA-N 536.462 4.999 10 40 KJCB CNc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1I 408740389 GBGARKHSKWHALK-WUXMJOGZSA-N 682.119 4.840 10 40 KJCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c1C 408758775 QZUYJYXFIJPYJS-YBFXNURJSA-N 553.369 4.748 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408872820 JIJUUAHVAXFNAM-WQRHYEAKSA-N 631.354 4.983 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OCc3ccc(F)cc3)C2=O)cc1 408901089 VJNSXPAQIACJML-IWIPYMOSSA-N 504.514 4.869 10 40 KJCB Cc1cccc(NC(=O)Cn2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1 408901091 VKSPHMLNOBVOSU-MFKUBSTISA-N 506.562 4.872 10 40 KJCB COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2OC)c1 408990116 MOXGOXLMCNHOBS-YDZHTSKRSA-N 532.618 4.740 10 40 KJCB CC(C)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Br 409039992 DZRQTKOYTIRSHS-VIZOYTHASA-N 538.192 4.618 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2)c(C)c1 409262469 FDYPMXXWILPXIK-HMAPJEAMSA-N 503.942 4.641 10 40 KJCB CCOC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC 409359433 OIGYXQKMRYOYKM-NDENLUEZSA-N 535.043 4.535 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 8429908 OWUAFJFQHOLEBI-MKWGYRPRSA-N 548.064 4.778 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 9113256 BZILITVYUKIESW-UHFFFAOYSA-N 521.683 4.671 10 40 KJCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 12563109 PCRHNOOQZDJNMO-UHFFFAOYSA-N 500.507 4.654 10 40 KJCB CN1C(=O)C(=Cc2cc(Br)c(OCc3cccc(F)c3)c(Br)c2)C(=O)N(C)C1=S 103856155 GKYOERKJJXIWPM-UHFFFAOYSA-N 542.224 4.528 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccc(F)cc3)C2=O)cc1 408806380 IYYZXMUKUBNCNY-FYJGNVAPSA-N 553.340 4.620 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(C(=O)O)c1 408851365 BZUZDPGONLTIPS-GZTJUZNOSA-N 514.390 4.930 10 40 KJCB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408905710 CSZVJXLBAZNWAO-MFKUBSTISA-N 520.607 4.561 10 40 KJCB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408943328 RUOQFESQKFUMHS-YBFXNURJSA-N 539.313 4.532 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409085763 DGGSCHQPDQYOIQ-VCHYOVAHSA-N 674.360 4.974 10 40 KJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 8397180 YEFXACDZAQEKCV-NDENLUEZSA-N 503.356 4.626 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 8404794 GBUVQIJDJWMJPO-OCEWKHMESA-N 592.515 4.887 10 40 KJCB Cc1cc(NC(=O)CSCC(=O)N(c2cccc(Cl)c2)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)c(O)c2)no1 8686631 PDMKEQMWYYNDOF-HHHXNRCGSA-N 587.098 4.943 10 40 KJCB COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(Cc5ccc(Cl)cc5)c(=S)[nH]c4c3)CC2)cc1 20645632 JQASZEVPTVAPLC-UHFFFAOYSA-N 521.042 4.732 10 40 KJCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 97964615 PRUQWHYYYBHJAB-PUHYCJLASA-N 526.387 4.983 10 40 KJCB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c1 103624261 GZNKPQUPESUYSY-CJLVFECKSA-N 543.692 4.807 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 103850021 DCLHJWLCPVQAMO-VXLYETTFSA-N 570.327 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 408536872 SWIVVLNFXYQHKP-JWANLJSNSA-N 508.958 4.608 10 40 KJCB CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C(=O)NC1=S 408541239 FLNAHCOWWAVKMS-LFVJCYFKSA-N 523.614 4.870 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O 408789083 IZBYNSIFEGNSDE-KGENOOAVSA-N 539.373 4.928 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1Cc1cccc(F)c1 408869525 SLVKRVXKLLWDNS-UDWIEESQSA-N 556.331 4.696 10 40 KJCB CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408894178 BLUURFSNCNHKCJ-RGZVIEDOSA-N 507.768 4.955 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=c3\sc4n(c3=O)[C@H](c3cc(OC)ccc3OC)C(C(=O)OC(C)C)=C(C)N=4)c2C)c1C 409018325 KUZMIURHDZFIQM-OKMHPQNISA-N 643.762 4.707 10 40 KJCB Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(I)cc1 409023444 MRUGNIKQWOXFDN-JAIQZWGSSA-N 545.377 4.669 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1 409058581 SVEJGIWDCYHSMO-MKWGYRPRSA-N 596.547 4.560 10 40 KJCB CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1 409082302 IVXYSZDVYGQQCY-QFFYTCKUSA-N 552.700 4.729 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)C2=O)cc1OC 409149238 ZNYNIYYMESGDQI-LPYMAVHISA-N 720.538 4.835 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 409407740 NZIABAZUUVJJDT-MOSHPQCFSA-N 540.357 4.730 10 40 KJCB COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 13799760 PGMMEYJHVZUFBX-AKZCVUIYSA-N 517.588 4.767 10 40 KJCB CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1OC 59861267 QPOSKUCDDKNITK-NTEUORMPSA-N 506.296 4.514 10 40 KJCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Br 97947067 GEGZOUSOKXMPLE-ZDLGFXPLSA-N 530.425 4.596 10 40 KJCB Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 97947081 ZPIRIFNAVGCWNI-SZXQPVLSSA-N 581.767 4.769 10 40 KJCB O=C1C(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 104240900 RQQJEJACQVDQIX-FLWNBWAVSA-N 556.629 4.700 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 408841542 LFMUXGSZYWHCQF-HDFSHUSISA-N 599.709 4.693 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(Cc2ccccc2Br)c1 408882559 QWBKODCBRDADLG-RGEXLXHISA-N 509.331 4.854 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 408992404 BDIDIXGFWXSSOH-QPJBPQEWSA-N 590.101 4.646 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1C 409079969 COPMXFOEUWJVSF-NDENLUEZSA-N 502.439 4.579 10 40 KJCB O=C(COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1ccccc1F 409400918 VITRZEGEEWUNFX-YBEGLDIGSA-N 544.764 4.721 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 2987523 GVNPAYCNWCCRAP-IGSWSUAKSA-N 538.094 4.921 10 40 KJCB Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc2ccccc2c1 8777684 MGOSEFRKOVOPJY-VEILYXNESA-N 527.646 4.785 10 40 KJCB O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 40221223 HGDISXRSEUCRCS-BKUYFWCQSA-N 515.572 4.617 10 40 KJCB COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N(C)C)c(Br)c4)c(=O)n32)c1 97962688 ZBGWPCVISCIYMX-BIWBSIMWSA-N 603.542 4.711 10 40 KJCB CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S 102827446 MBBJAYTXPWNKEY-CJLVFECKSA-N 526.709 4.791 10 40 KJCB CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)N(C)C1=S 104882190 STYHGIXFCGULQM-UHFFFAOYSA-N 520.811 4.843 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N2CCOCC2)cc1 223523679 JCMSWWCCGDAENY-FQLXRVMXSA-N 524.694 4.893 10 40 KJCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2ccc(Br)cc2)c1 408869550 SIQPXPIOPJDSSZ-UNOMPAQXSA-N 525.330 4.842 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408942190 XXZAXVVDQABTDZ-RGVLZGJSSA-N 658.361 4.752 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409074480 LYXVQCNNOLBOOT-YBFXNURJSA-N 511.317 4.937 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 409262065 CKGWUSFHQYCXIK-STZFKDTASA-N 550.434 4.606 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(Br)cc1OCc1ccc(C)cc1 409374487 QYJPGVAAXCETCN-RGVLZGJSSA-N 539.382 4.990 10 40 KJCB COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)C(O)=NC2=S)c(OC)c1 681564 BCSJZFNDSFEOQR-JAIQZWGSSA-N 519.579 4.790 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1OC 8819940 FDSNTGVAKXXUSA-QNGOZBTKSA-N 514.625 4.802 10 40 KJCB COc1ccc(Cl)cc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101193482 KPCHRNUDLYNHTL-BHDDXSALSA-N 522.340 4.697 10 40 KJCB Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)c1 103845456 FDDDKIBKJQSLOU-VXLYETTFSA-N 582.350 4.574 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1OC 225289959 PJHGHPZBTDHJRE-NSOVKSMOSA-N 542.665 4.655 10 40 KJCB COc1ccc(N2CCN(C(=O)[C@@H](CCSC)Nc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)CC2)cc1 252552526 UVLDARVNLRWGBB-IGYGKHONSA-N 690.863 4.754 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Br)cc3)C2=O)cc1 408529750 DCNGDMPGNLVKQO-ZHZULCJRSA-N 505.324 4.643 10 40 KJCB O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408742150 PRFHFXUUNNQUJI-CIAFOILYSA-N 538.379 4.768 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408808848 GFXSYYZBNPUJAH-RGVLZGJSSA-N 582.363 4.707 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408852458 GAJGCOPQSFFJNH-HYARGMPZSA-N 557.024 4.606 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1 408864942 AQUCKRIZOJAWCU-UDWIEESQSA-N 537.341 4.632 10 40 KJCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 409234087 YVTJOIPREAAIJW-XQNSMLJCSA-N 522.561 4.654 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccc(Cl)cc4)[C@H]3c3ccc(N(C)C)cc3)C2=O)cc1 102860672 SWBOOCXVDUTPMY-CCDWMCETSA-N 519.985 4.634 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccccc1Cl 408897734 STXTVUUUWWNYOO-VCHYOVAHSA-N 513.333 4.953 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)c(Br)c1O 408903687 WIEOGDLCUYMCDP-KPKJPENVSA-N 589.034 4.745 10 40 KJCB CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br 409048577 SFIYWZHQCORDCY-RIYZIHGNSA-N 526.156 4.806 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC 409059018 QKLSKKAJUGNEMM-GTWFGUSFSA-N 596.547 4.560 10 40 KJCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409064030 BDCHCYGBFUEEOF-CPNJWEJPSA-N 561.797 4.537 10 40 KJCB O=C(COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O)Nc1ccccc1 409330222 JXSRWTPJBIFGOM-KGENOOAVSA-N 524.023 4.904 10 40 KJCB COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)cc(Br)c1OCc1ccc(Cl)cc1 59106228 PEUULGISVNLUDM-UNOMPAQXSA-N 523.836 4.993 10 40 KJCB COc1ccc(C2=NN(C(=O)c3cc(OC)c(OC)c(OC)c3)[C@@H](c3ccc(N(C)C)cc3)C2)c(OC)c1 95945525 LQKOTMSYJQLBKY-XMMPIXPASA-N 519.598 4.787 10 40 KJCB CCc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4I)C(=O)[C@H]23)cc1 100494836 CGXVCUKBELAARW-VABKMULXSA-N 577.374 4.549 10 40 KJCB C[C@H]1CCCN(c2ccc([C@@H](C)NS(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)cc2)C1 260841226 KTDVWHSKIPWFJL-JKSUJKDBSA-N 520.080 4.720 10 40 KJCB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(c3ccccc3)CC1)n(C)c(=O)n2C 408534961 RWRGEUQODRJEEY-CLCOLTQESA-N 600.521 4.685 10 40 KJCB CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)sc(C)c1C 408783471 LQNUMCGDIYGJSO-FYJGNVAPSA-N 505.596 4.924 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408885553 BWAKLVUABJEJNJ-MOSHPQCFSA-N 601.500 4.755 10 40 KJCB CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br 409007879 RCMXFGPOYAHDJL-UHFFFAOYSA-N 623.298 4.678 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)C2=O)cc1OCC 409196321 YYCKJVMHOQTRLK-PCLIKHOPSA-N 558.587 4.813 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 103252644 GRIMCHQIUQDEDO-KAEGSSFASA-N 619.690 4.730 10 40 KJCB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 164454725 QCHIBVLJNFIQSO-YBFXNURJSA-N 647.219 4.997 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 225218552 INHYPWPKJQBEGW-VMPREFPWSA-N 555.660 4.980 10 40 KJCB COCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 225218630 INHYPWPKJQBEGW-URLMMPGGSA-N 555.660 4.980 10 40 KJCB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 408528384 BDAAXFITFWMFTQ-TWGYAANKSA-N 506.436 4.991 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 408530263 DQFSMQNCZNKSRT-UDWIEESQSA-N 580.977 4.650 10 40 KJCB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12 409198255 AYWIOQANYHYPSG-HMAPJEAMSA-N 522.399 4.887 10 40 KJCB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OS(=O)(=O)c4ccccc4)S3)CC2)cc1 9424033 YBUPFTIJTVBGAL-NCELDCMTSA-N 519.648 4.555 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 101156886 NTSJIRBXMCCEEV-TUNNFDKTSA-N 506.341 4.997 10 40 KJCB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 101233485 QNXITQOEXBTZIK-XUVWKZFSSA-N 539.704 4.716 10 40 KJCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c(C)n1-c1ccccc1C(F)(F)F 223139096 ITWMGWSOAQDEKI-JWQCQUIFSA-N 529.632 4.813 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccccc1Br 408893180 CYLLKEJPSSFAIG-KGENOOAVSA-N 579.403 4.880 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(Cl)cc1 408956803 YODIRTPSTQHXHK-LSCVHKIXSA-N 632.794 4.927 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1 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Cc1cc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2C)ccc1I 409194420 LEXDHWAJPBPFRG-NDENLUEZSA-N 585.423 4.537 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409361207 AUXHEDJCIGDIGH-NDENLUEZSA-N 537.931 4.562 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)c(OCC)c3)C2=O)cc1OC 409386469 LSSAOAWZYNDPTG-JWGURIENSA-N 603.628 4.575 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 671266 VYVJHFZESANVKE-BKUYFWCQSA-N 578.419 4.840 10 40 KJCB O=C1Nc2ccccc2/C1=C/c1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 9044256 KGVQCWZJUICCNV-AQTBWJFISA-N 505.315 4.542 10 40 KJCB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 11024080 RSDOWKBCNBIYCB-UHFFFAOYSA-N 502.592 4.668 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 58872226 MOLHHDLLQJBPJS-WHNPURCTSA-N 517.695 4.768 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 103852035 RCGGGNQHEDGMHU-LICLKQGHSA-N 541.944 4.806 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 105510307 NUGXKMILCFQACV-YBFXNURJSA-N 532.465 4.587 10 40 KJCB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408528489 BJZRSNDEYKXVPD-XIHFDNFTSA-N 535.325 4.873 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)C2=O)cc1 408800049 JRNZKAXCAGRDMU-PCLIKHOPSA-N 551.511 4.780 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O 408901607 ZCDLHDJHHWSDIV-DHDCSXOGSA-N 522.193 4.974 10 40 KJCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)C1=O 409269169 GJCGKFHYYCNNSF-XDHOZWIPSA-N 524.360 4.986 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccccc1Br 409339345 HQOSHGIEAYZQFD-VXLYETTFSA-N 571.361 4.781 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC(=O)Nc4ccccc4OC)c(OC)c3)C2=O)cc1OC 409382030 KSDHXDPEVONBET-MOSHPQCFSA-N 668.497 4.948 10 40 KJCB CCc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccc(N3CCOCC3)cc2)cc1 6134753 ZSWPBPTUYLWOEN-PMERELPUSA-N 554.695 4.520 10 40 KJCB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 13669594 AHQKVACSUASUDI-UHFFFAOYSA-N 528.074 4.769 10 40 KJCB CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CC)CC4)c(O)ccc3c2=O)cc1 20393774 DKRQGUYPSANRGE-UHFFFAOYSA-N 520.504 4.624 10 40 KJCB biogenic COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 101093670 LCBWNFZGJBVINS-ZDFNEKIDSA-N 517.954 4.630 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC 103610040 YYDOMOZSHKHRAV-NVMNQCDNSA-N 556.449 4.882 10 40 KJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 103859078 LUBKBQHJPXMULF-UDWIEESQSA-N 522.355 4.530 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1I)[C@H](c1cccc(Br)c1)OC21C(=O)c2ccccc2C1=O 150386717 HZLFERFNCYBETC-NJYVYQBISA-N 628.216 4.749 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)C2=O)c1 408898854 MWPQGTPAWCNQHN-CIAFOILYSA-N 521.932 4.780 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(Cl)cc1 408946557 YXCCNOGGSOOLCX-UDWIEESQSA-N 507.886 4.502 10 40 KJCB O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409022708 QAAOXKQSUVHIRC-WSDLNYQXSA-N 500.511 4.568 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409266117 JSJRMPKODVGJAW-NDENLUEZSA-N 580.460 4.615 10 40 KJCB CCc1ccc(N2C(=O)[C@H]3[C@H](c4cccc(Br)c4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 1240694 IDGKTPAFWVYTSK-VJBWXMMDSA-N 530.374 4.707 10 40 KJCB O=C1[C@H]2[C@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 8424514 NUNQACXOXMZKRD-HKBOAZHASA-N 554.755 4.937 10 40 KJCB CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 41083456 GCCTWLSZRYSUPR-AKZCVUIYSA-N 521.599 4.531 10 40 KJCB COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CN3C(=O)c4ccccc4C3=O)c3c(C)cc(C)cc32)S1 102785762 DCQTVSUEDLYQSN-UHFFFAOYSA-N 622.746 4.801 10 40 KJCB CCc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1 408757463 XERVBHZTGIJIHE-JLPGSUDCSA-N 508.603 4.674 10 40 KJCB COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)sc2c1CCCC2 408786080 LNAAJIPVNMVBLZ-KGENOOAVSA-N 517.607 4.796 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408805840 LTVSDRHEZDBUTF-KEBDBYFISA-N 611.361 4.910 10 40 KJCB COc1cc(I)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1 408873359 PTXFLGVRAIRCNJ-UHFFFAOYSA-N 524.314 4.883 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 409050709 YUCPUUOENTUALM-HZHRSRAPSA-N 578.419 4.840 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccccc1 409075363 XKNWALDFNGIQJL-YBFXNURJSA-N 605.850 4.935 10 40 KJCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 409399401 HZUPFAJGOLHVFA-IUXPMGMMSA-N 527.758 4.872 10 40 KJCB Cc1nn(C(=O)c2ccccn2)c(-c2ccccc2)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 5485939 LMWHUSOEEYKRAF-NVQSTNCTSA-N 524.566 4.948 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1 13757855 RHONJWKGNCHYAT-NHQDZBNKSA-N 513.579 4.606 10 40 KJCB CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(I)c(O)c(I)c3)C2=O)cc1 97957708 WUOCKIPBLXCWCW-NTUHNPAUSA-N 604.138 4.507 10 40 KJCB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 104660878 BUHZUFYNXGBANN-UHFFFAOYSA-N 565.316 4.541 10 40 KJCB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225033204 UMABLLMEKYHHBE-JOCHJYFZSA-N 513.704 4.670 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 408815522 WYYHOWJJTFVZRN-UDWIEESQSA-N 521.913 4.811 10 40 KJCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)C1=O 408900855 YCTPNYYJHFHLLI-QNGOZBTKSA-N 524.982 4.645 10 40 KJCB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 409196874 RQVDVVBJFGVFCY-ZVHZXABRSA-N 584.651 4.838 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1ccc(F)c(Cl)c1 409226732 SBGWUYNQDLBDKV-DJKKODMXSA-N 544.900 4.811 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409262249 GBSBFACCSMZTLA-RGVLZGJSSA-N 551.958 4.788 10 40 KJCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)Nc1ccc(F)cc1 409400474 RMWJMRLPTHQIKX-WQRHYEAKSA-N 619.241 4.838 10 40 KJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C1=O 8870210 XFHAFZQTNWXYSL-NXSBVINPSA-N 519.648 4.518 10 40 KJCB CCCCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4O)[C@@H]3C2=O)cc1 9312892 JOIKJQPYKCXRGS-NXCFDTQHSA-N 517.538 4.921 10 40 KJCB COc1ccc([C@H]2[C@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1 9427661 XPKZWFVGMLZEOJ-NXCFDTQHSA-N 508.574 4.959 10 40 KJCB Cc1cc(O)c(CN2CCN(S(=O)(=O)c3c(Cl)cc(Br)cc3Cl)CC2)cc1C 25719633 GBWFILGIWDQUDU-UHFFFAOYSA-N 508.265 4.585 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 100649276 STHXXHHMALVKOC-RGVLZGJSSA-N 567.417 4.566 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c(C)n1-c1cc(Cl)ccc1O 223176151 FVYQIWQMNNJNFG-FTJBHMTQSA-N 526.106 4.543 10 40 KJCB CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C2=C(N=3)c3ccccc3CC2)c(O)c1 408770636 ZSVKCNBLIOAHBI-DDIUQFJASA-N 567.711 4.888 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OCC)c3)C2=O)cc1 408801922 WUJXBOXBOMHZEG-LFVJCYFKSA-N 528.561 4.816 10 40 KJCB CC[C@@H](C)Oc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC 408894414 CJGPWSPPMFADSL-BFERYNQYSA-N 501.377 4.918 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccccc1F 408951594 LZCJVDAGDBSDJE-CAOOACKPSA-N 569.339 4.571 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CNS(=O)(=O)c4ccc(Br)cc4)o3)C(C(=O)OC)=C2C)cc1 409185913 SLGABMKUECKACF-BUVRLJJBSA-N 629.485 4.575 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409243467 WOQIHAGCBKKFJV-YDZHTSKRSA-N 568.502 4.764 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409263962 JREOWPQYJRWTQA-QRVIBDJDSA-N 697.482 4.777 10 40 KJCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c(Cl)c1 409349436 PVWZTYXGUOHBJV-DHDCSXOGSA-N 514.797 4.799 10 40 KJCB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409380399 MJHRNZCGGLVENB-BKUYFWCQSA-N 540.359 4.686 10 40 KJCB O=C(COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)Nc1cccc(F)c1 409401768 ZTHMBBKSGKPSCM-NVMNQCDNSA-N 589.215 4.830 10 40 KJCB CC(C)(C)OC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12 2209975 LTYALSLLBKTIJI-DSNGMDLFSA-N 523.545 4.859 10 40 KJCB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 103922734 QRECQXBFDPMLQK-ONUIUJJFSA-N 620.047 4.985 10 40 KJCB Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN2CCOCC2)c1C 223188706 QYRPTELKTZAJCM-IXCJQBJRSA-N 503.716 4.801 10 40 KJCB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1 408876341 NYVXQEFKXCJIRN-CJLVFECKSA-N 533.378 4.883 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(OCC)c(OCC)c3)C2=O)cc1 408895972 GHMULAYEKBCUQD-PDGQHHTCSA-N 564.376 4.544 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408899372 OUVZDSJUMWLDJO-MOSHPQCFSA-N 585.432 4.509 10 40 KJCB COCCN1C(=O)/C(=C/c2ccc(CN(Cc3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C 409014843 QAXFIOBVCAWSDO-MTDXEUNCSA-N 578.687 4.607 10 40 KJCB O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccccc1Cl 409250404 LARUXDWRKVPGQB-QGOAFFKASA-N 554.784 4.786 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409264764 PZVAQYKNYQDIBW-SXGWCWSVSA-N 527.849 4.960 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc(I)c1OCC 409351574 UYJVTYMWTZAHNZ-LDADJPATSA-N 584.457 4.643 10 40 KJCB COc1ccc2c(c1)c(CC(=O)NCc1cc([N+](=O)[O-])ccc1O)c(C)n2C(=O)c1ccc(Cl)cc1 12924003 TWKARRBOKOIBHF-UHFFFAOYSA-N 507.930 4.773 10 40 KJCB Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1Cl 101117283 ASUNFKITCMGGHT-BHDDXSALSA-N 506.341 4.997 10 40 KJCB COc1cc([C@H]2[C@@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 102885115 FDWXBXCYVDUYBC-OZNIXHKMSA-N 567.594 4.660 10 40 KJCB O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408786451 QAFDJJZRUBEPHM-CXUHLZMHSA-N 515.334 4.920 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1 408890373 RZDYVQKUWDXYNE-WSDLNYQXSA-N 640.430 4.949 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 408897406 JFHZGLZBWHMCFF-MOSHPQCFSA-N 585.432 4.509 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)Nc1ccccc1 408902325 HKGBWXZPFYCBMP-YBFXNURJSA-N 676.261 4.746 10 40 KJCB 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COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 101348211 YPJFZPKZHFGFOP-XYSYLGEOSA-N 526.640 4.718 10 40 KJCB COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408531247 OYLUZKPQZRLTMT-LSCVHKIXSA-N 552.834 4.543 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542266 KFOPHBCULLRIEE-NLRVBDNBSA-N 553.615 4.875 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(c3ccc(Cl)c(Cl)c3)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 408593952 PAPOYNOXQCLRRI-UHFFFAOYSA-N 578.518 4.863 10 40 KJCB CC(=O)Oc1c(I)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-] 408744105 WSEYSDPUYYEVQL-AWNIVKPZSA-N 556.106 4.869 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)cc1 408784135 SGRXNKZHVOWYEX-FYJGNVAPSA-N 612.376 4.634 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccccc1 408797296 CGJNXWSXEAQXTD-DEDYPNTBSA-N 568.367 4.935 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1 408802371 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Cn1cc(/C=C2\C(=O)N(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c3cc(Cl)ccc32)c2ccccc21 217528193 NPMRRGOIGHIZJN-UAIPYOAWSA-N 511.025 4.957 10 40 KJCB COCC(=O)Nc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1OC 225296319 JRNBUYFMYJOVBD-URLMMPGGSA-N 557.676 4.965 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1NS(C)(=O)=O 225426945 JKUOTCRBQDHMIW-SVBPBHIXSA-N 563.705 4.752 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NC1=S 408740593 HGEAONKLRJWEAR-BOPFTXTBSA-N 512.341 4.757 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc(F)cc1 408800048 JRFJOCYDWGQGBH-YBFXNURJSA-N 572.330 4.684 10 40 KJCB CC[C@H](C)Oc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 408901312 XDTJGIUPRVDZNH-RGZVIEDOSA-N 554.768 4.797 10 40 KJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1 408905662 BZLSRRBIZBWIJK-OEAKJJBVSA-N 526.998 4.597 10 40 KJCB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408964562 DQKTXYYFSNERPA-NTEUORMPSA-N 505.310 4.922 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@@H]1c1cccs1 408987493 QHYJHPJFUZLIMA-KMBIYUNPSA-N 531.703 4.884 10 40 KJCB COCCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N(c2ccccc2)C1=O 409011776 IMXMMKFDDDHWEX-HAHDFKILSA-N 522.399 4.882 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(N(CC)CC)cc3O)c2=O)=N1 409033183 NJYPGIWKHCSGDM-CRCYZHLCSA-N 628.589 4.901 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(OCC(=O)Nc4cccc(C)c4C)c(OC)c3)C2=O)cc1 409254978 YTBBYCFUJNEKNR-LPYMAVHISA-N 669.472 4.999 10 40 KJCB COc1ccc2c3c(n(CCC(=O)N4CCCC[C@@H]4c4cccnc4)c(=O)c2c1OC)-c1ccccc1C3=O 604404756 JZCAESNMZHLVRL-HSZRJFAPSA-N 523.589 4.769 10 40 KJCB biogenic Cc1oc2ccc(NS(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc2c1C(=O)OC(C)C 6142767 XOHRILAUSDBTJH-UHFFFAOYSA-N 503.532 4.883 10 40 KJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 9846950 NGGXBPLOHKNPOX-XGDNCFSYSA-N 502.611 4.948 10 40 KJCB CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1 36612299 RBQGVYQTUYKIBV-OYKKKHCWSA-N 513.550 4.916 10 40 KJCB CCCCCN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 97947730 SMYQWPRBLXHEQL-NKFKGCMQSA-N 551.713 4.860 10 40 KJCB COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 97957730 DROJTSIABUKDOY-ASZNLBCTSA-N 541.673 4.603 10 40 KJCB Cc1cccc(N(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccc(N(C)C)cc2)c1C 100329981 KLBNZWDPOHAENY-FIBWVYCGSA-N 602.139 4.746 10 40 KJCB CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 100860266 VJZFAKONGPIXJR-PTGBLXJZSA-N 551.713 4.860 10 40 KJCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc2c(c1)OCO2 225398845 WSRIBMZSRHGFDU-RRPNLBNLSA-N 561.689 4.766 10 40 KJCB Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)nc1 225401119 BDSOIQMAFUSNPQ-IZZNHLLZSA-N 532.695 4.741 10 40 KJCB Cc1ccc(-n2nc(C)c(/C=C3/C(=O)NC(=O)N(c4cc(C)c(C)cc4Br)C3=O)c2C)cc1 408755285 DBAOLKZTEKUMOP-NDENLUEZSA-N 507.388 4.843 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408786020 FCABEDJJYVUTNQ-HYARGMPZSA-N 501.495 4.547 10 40 KJCB CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)c1C 408966188 KIYNQDAGUHCZPU-HMAPJEAMSA-N 521.415 4.950 10 40 KJCB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(N4CCCCC4)cc3)c2=O)=N1 409054394 JKLYVLKPFWDEQX-QWYUUOJISA-N 545.705 4.577 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409241510 XYVABNDBZXJVNF-MFKUBSTISA-N 510.525 4.874 10 40 KJCB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C 409267209 MLPFXUOTBUNRPL-UCQKPKSFSA-N 527.577 4.613 10 40 KJCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCC(=O)Nc2ccccc2)cc1 409399389 HSFUDGDVORJZDO-IMRQLAEWSA-N 506.562 4.573 10 40 KJCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409409266 UWEDOWSDOZBWDG-BKUYFWCQSA-N 505.958 4.526 10 40 KJCB COc1ccc(NC(=O)CN2CCOCCOc3ccc(N4CCOCC4)cc3Cc3cccc(c3)C2)cc1Cl 643589450 UFFVQDGCICEWQG-UHFFFAOYSA-N 566.098 4.626 10 40 KJCB O=C1[C@@H]2[C@@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 18266888 PGSHGPYRJVJDQT-PCCBWWKXSA-N 509.411 4.540 10 40 KJCB Cc1ccc(COc2c(Br)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2Br)cc1 33353319 CWLUSMWJTSJZEB-UHFFFAOYSA-N 522.193 4.533 10 40 KJCB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(NS(C)(=O)=O)cc3)c2C)c([N+](=O)[O-])c1 225399612 YTMMSKBNGDATMQ-RRPNLBNLSA-N 592.703 4.955 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 408775555 IKBMPELXKIHQCU-CLNXTWJPSA-N 585.701 4.930 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408799271 HADIOHLXIFYLBD-CPNJWEJPSA-N 521.913 4.892 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OCC 409133616 NKIRLSXGTMQTLZ-MHWRWJLKSA-N 503.418 4.695 10 40 KJCB C=C/C=C\C(=C/C)N1C(=O)/C(=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 409184545 GYKTXYMYMNYFMO-NHWQNDRASA-N 689.819 4.987 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 8407819 AUORERAUKABMIM-UQDCTOEPSA-N 683.568 4.828 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCCCOC(C)C)nc12 9462906 VMTBJYSKZJGLSL-XLNRJJMWSA-N 522.696 4.674 10 40 KJCB COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 100084025 GAKMADAUFBBJAW-GMQQYTKMSA-N 539.592 4.829 10 40 KJCB Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4Cl)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1 100695191 NJXJKWLIBPEGAR-FSSWDIPSSA-N 506.341 4.997 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@@H]23)cc1 169617103 OFJOQMMYCMPPEC-YPAWHYETSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1cccc(F)c1 408692868 XGKJBPRJUDJFOA-VCHYOVAHSA-N 517.351 4.580 10 40 KJCB Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)C(=O)NC1=S 408740808 IEZLJUARKWYLEG-WUXMJOGZSA-N 575.076 4.819 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC(C)C 408810730 MRVPDCIWLOQIIZ-LICLKQGHSA-N 501.377 4.918 10 40 KJCB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408890016 MPHXTAPMFYNXFG-XSFVSMFZSA-N 555.406 4.500 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1 408937843 PKFSYNGFKFCKPT-HYARGMPZSA-N 501.495 4.547 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(I)c(OS(=O)(=O)c4ccccc4)c(OC)c3)C2=O)cc1OC 409135047 PJRLBTIFUYLKIM-FYJGNVAPSA-N 706.511 4.527 10 40 KJCB O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(Cl)cc1 409225881 RZCWZCTVNICQET-BKUYFWCQSA-N 510.333 4.677 10 40 KJCB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)SC1=S 409255306 HDVWXCPDTRTFRW-NDENLUEZSA-N 540.585 4.969 10 40 KJCB CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Br 409384228 BIMFJWZZCPEVHT-GZTJUZNOSA-N 503.418 4.640 10 40 KJCB COc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 409386376 MYFMHCZSUARKFW-PDGQHHTCSA-N 540.359 4.686 10 40 KJCB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)o1 409400668 PXYBNCHHUOUYEE-OCKHKDLRSA-N 532.778 4.983 10 40 KJCB COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1OC 11852870 QKDKMWCSBFZULM-PDGQHHTCSA-N 526.558 4.961 10 40 KJCB CC[C@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 60392778 RAGOYPUPXAKGKH-XTDQBOBXSA-N 700.791 4.573 10 40 KJCB O=C1[C@@H]2[C@@H](c3ccc(F)c(Cl)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Br)cc1 101130224 VDTDCNPFABPXQH-PWRODBHTSA-N 554.755 4.937 10 40 KJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 112233453 MGWVTSURYLTVOO-ULJHMMPZSA-N 520.571 4.679 10 40 KJCB COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 112253533 DLSMHNUGBDSBCK-UHFFFAOYSA-N 556.128 4.814 10 40 KJCB COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c1C 225412940 RRPZMGJSBVFBQN-SXOMAYOGSA-N 575.716 4.824 10 40 KJCB COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)c(NS(C)(=O)=O)c3)c2C)cc1 225494728 LGJBHCSEQWXFAP-IZLXSDGUSA-N 605.742 4.833 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl)Nc1ccc(F)cc1 408901285 WUDQLYUPUZNRRZ-YBFXNURJSA-N 528.323 4.816 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 409065092 GBOSBXYMYMCWAR-RGVLZGJSSA-N 610.373 4.700 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)c(=O)n2[C@H]1c1ccccc1OC 409086214 GMIMIUGAAOCBHT-HVDVVURSSA-N 626.779 4.615 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1OC 409144982 HJDMSZABPYNGIF-IWIPYMOSSA-N 518.541 4.864 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O 409240414 PNDUGCVTXDBKGJ-VZUCSPMQSA-N 560.651 4.719 10 40 KJCB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 409263959 DEHHUKSXJUNDLV-ZDLGFXPLSA-N 540.359 4.691 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1 409370025 JPQCMMPDDRUOEQ-NDENLUEZSA-N 540.359 4.686 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 8493954 YDQCELWYAKQFFE-WTPQPOPRSA-N 546.630 4.747 10 40 KJCB CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 8764025 CWRHDGCZMHANGT-OQKWZONESA-N 520.680 4.667 10 40 KJCB O=[N+]([O-])c1cc([C@@H]2OCCCN2Cc2ccccc2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 59489933 DDFIRKSIUYALPI-LJAQVGFWSA-N 516.598 4.567 10 40 KJCB COC(=O)C[C@H](c1ccc(OCC(C)C)c(OC)c1)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 97971998 YADWSMWYRUNQMR-QGZVFWFLSA-N 566.559 4.726 10 40 KJCB biogenic CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(I)c1OCc1ccccc1 100711686 HJGKHUYCAUOGMG-LEJACGOASA-N 546.390 4.908 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 408718963 YIHHKXDINZXJNI-SJJVXOANSA-N 639.515 4.729 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(Br)c3O)C2=O)ccc1Br 408762548 PCXZFGLSVKRQLR-WUXMJOGZSA-N 559.008 4.655 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408945865 XPLUYXFJBVGWCN-RGVLZGJSSA-N 565.922 4.591 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)cc1OCC 409195750 VSXHSMOHUJTXSF-WOJGMQOQSA-N 516.978 4.597 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 409258132 WPYFYQHWBYZHEX-RGVLZGJSSA-N 596.409 4.898 10 40 KJCB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 409265180 REVUFBKLNMLNNO-MOSHPQCFSA-N 524.360 4.986 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C/c3c(C)n(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)SC2=S)cc1 409354151 ZBANHOJVKYQPPJ-WGARJPEWSA-N 600.678 4.872 10 40 KJCB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(OCc5ccccc5)cc4)C3=O)cc2OC)cc1 409382695 PMORHUDSHYEZPY-VEILYXNESA-N 607.619 4.967 10 40 KJCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1 9158774 VNYLLHWKANZQBU-VIZRJVHBSA-N 502.644 4.733 10 40 KJCB O=C1c2ccccc2-c2nc(-c3cccc(S(=O)(=O)O)c3)nc3ccc(Nc4ccc(S(=O)(=O)O)cc4)c1c23 104012287 VHDFMAJWYRZDNJ-UHFFFAOYSA-N 559.581 4.745 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 408804347 XTTAVXIALRPYJN-RGVLZGJSSA-N 584.366 4.559 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCCC4)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 409056187 FPAPMOVJKUWEKF-ZJOBTTRRSA-N 579.722 4.935 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1C 409083046 USGZBKAMAJMLOA-XDHOZWIPSA-N 502.439 4.579 10 40 KJCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)c1C 409249106 JMKKSMVVPYNULL-ZVHZXABRSA-N 533.606 4.873 10 40 KJCB Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Cl)c1C 409264625 QKPGDKUDBSOZGE-NDENLUEZSA-N 548.939 4.549 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1I 409342089 BKXGBFLWQSBDTK-LSCVHKIXSA-N 554.475 4.749 10 40 KJCB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 101338834 RPOACXUIYJQQRZ-UUMRFZBWSA-N 560.122 4.980 10 40 KJCB CC1=NN(C(=O)CC(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 104306201 JEIWAHCFJHMULD-NFOKUVPFSA-N 546.927 4.709 10 40 KJCB COc1ccccc1NC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3ccccc3OC)C2=O)SC1=S 150469537 ZVGBCYWIUJFWNH-WCWDXBQESA-N 644.822 4.774 10 40 KJCB Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)ccc1Br 408766503 UZTABXVSETVQFN-HYARGMPZSA-N 521.415 4.897 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1 408866018 FIXGXPCLLMUBSA-CIAFOILYSA-N 586.357 4.705 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCc1ccccc1F 408896597 SIKZLPQRZGLCHL-GIJQJNRQSA-N 570.327 4.750 10 40 KJCB O=C1C(=Cc2ccc(O)c(I)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1 408904223 GRBDXMSZQBWNIP-UHFFFAOYSA-N 510.287 4.580 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4Cl)c3C)C2=O)cc1 408983396 LWIXDLWPTBKSSN-BKUYFWCQSA-N 505.958 4.763 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(I)c4)c3C)c2=O)=N1 409042781 CPRWSYZXCFNSGG-RISWYLRJSA-N 623.516 4.810 10 40 KJCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccc(N4CCCC4)cc3)c2=O)=N1 409060722 UKLZKEATICFXKH-INZJWMLVSA-N 526.687 4.536 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C 409271691 VZWAXYDOHNXURI-NDENLUEZSA-N 578.965 4.639 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1O 409347607 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O=C(O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 408850330 LNJVWMDSXKJTJF-BRJLIKDPSA-N 523.589 4.860 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c2=O)=N1 408922270 CXDHCIARENQALL-IMUCPKNRSA-N 641.746 4.891 10 40 KJCB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 409106273 QTSZJNFVNHPOHG-ISZRBDKASA-N 627.811 4.594 10 40 KJCB C=C/C=C\C(=C/C)N1C(=O)/C(=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)C(=O)N=C1SCC(=O)NC(c1ccccc1)c1ccccc1 409184539 GYKTXYMYMNYFMO-IKFZSMAASA-N 689.819 4.987 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl 409196273 VELNLJRCOPCFKV-QPJBPQEWSA-N 562.091 4.868 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409224772 MPWADXAEJGSRFQ-CIAFOILYSA-N 533.968 4.649 10 40 KJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)NC2=S)c1 409227577 QDNVXLDSICCBMW-HZHRSRAPSA-N 508.603 4.728 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1C 409269375 IDIQFQGGVUDTDC-XKZIYDEJSA-N 517.969 4.949 10 40 KJCB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 17337497 LIYTVFAOBHTWGS-XUVWKZFSSA-N 539.704 4.716 10 40 KJCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OCC)c3)C2=O)cc1 408726175 QPNBXEWKWSBLON-HAHDFKILSA-N 531.521 4.638 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(C)c4)c(OC)c3)C2=O)cc1 408810816 QAYPFCYEHVGUGS-CIAFOILYSA-N 579.403 4.798 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)c(OCc2cccc(C)c2)c1 408823737 OQPNIFAJPPVSJV-RGVLZGJSSA-N 536.968 4.920 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408899175 ZQFYRHDNSMZICN-CIAFOILYSA-N 555.008 4.708 10 40 KJCB Cc1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1I 408928023 UNAZDGHLOCDPNK-SRZZPIQSSA-N 511.388 4.777 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(=O)n2[C@H]1c1cccs1 408987489 QHYJHPJFUZLIMA-GVMLUORFSA-N 531.703 4.884 10 40 KJCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1 409103538 DGPQCZZPDBEMNB-GXDHUFHOSA-N 502.266 4.837 10 40 KJCB COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409247444 CGQPBNBIHABJIA-LIQPLZLLSA-N 537.034 4.885 10 40 KJCB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409264596 MLQFDKSXBMLFIG-XKZIYDEJSA-N 697.482 4.777 10 40 KJCB Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 9411580 RQFLAFDWEBPTED-WBUOQYNOSA-N 518.708 4.929 10 40 KJCB Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 97946765 YUOFNMQTZJCFHP-QPHMKDBKSA-N 546.649 4.689 10 40 KJCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)c(C)n1-c1ccc(C(=O)O)cc1 225397124 JSKNTRZPJZAXDA-FTJBHMTQSA-N 561.689 4.736 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1Cc1cccc(F)c1 408876055 MLBDIQZSOJZQLZ-CIAFOILYSA-N 539.357 4.950 10 40 KJCB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O 409235872 CXKJNNPDGVDTMU-CIAFOILYSA-N 501.992 4.632 10 40 KJCB O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1)N1CCOCC1 409350021 WWMPYJYUMPJIMN-ODLFYWEKSA-N 509.436 4.637 10 40 KJCB Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)[C@H](C(=O)NC3CCCCC3)c3ccc(N(C)C)cc3)n2)o1 887480 DUAURZAWSBXZJO-MHZLTWQESA-N 561.712 4.588 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 8765838 QNRSMANFRQOQEB-HAHDFKILSA-N 506.605 4.916 10 40 KJCB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1 13750257 OIUACPNDUGHNQQ-HIHWOFHQSA-N 503.971 4.990 10 40 KJCB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 97979477 CHZKIVKNEUZETH-QVIHXGFCSA-N 535.626 4.748 10 40 KJCB Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 103593308 FHGOABAMXCQOAG-KZVRHOHFSA-N 509.035 4.769 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3OCC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 163722014 GFLGQYNIWNMBJL-VZIOXZNFSA-N 649.405 4.788 10 40 KJCB CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223148503 OUYRKALMDCCDGZ-XCZPVHLTSA-N 503.716 4.665 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 408528340 AZFAHGVIEHXAQM-LTRZOUJXSA-N 532.936 4.642 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(I)c3)C2=O)cc1 408775811 KEAVPZPBOGWJOP-UDWIEESQSA-N 556.331 4.984 10 40 KJCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408783114 KDIVKRIYYYCAKH-PGMHBOJBSA-N 516.525 4.729 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409076168 YZJOYQGVPAEXMY-CIAFOILYSA-N 642.402 4.642 10 40 KJCB CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OCCC)cc3Br)C2=O)cc1OC 409349133 RLVRUVIGPMPEGO-BOPFTXTBSA-N 547.402 4.710 10 40 KJCB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)c1 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623.416 4.748 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Br)c(Br)c1O 409245040 MLQYNYPWAFBNHX-YRNVUSSQSA-N 558.610 4.944 10 40 KJCB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)c1 409257740 PXMUKBFXJJLLBP-BKUYFWCQSA-N 548.939 4.549 10 40 KJCB COc1ccc([C@@H](Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)N(C)C)cc1OC 604404393 MVMMQMZPAZNOKN-OAQYLSRUSA-N 514.578 4.550 10 40 KJCB biogenic O=C(CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)NCc1ccc(N2CCCC2)cc1 10113633 VXRLCYYTQJHXBE-UHFFFAOYSA-N 502.011 4.591 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 100345460 OWTVMMYPERRTNY-RQZCQDPDSA-N 541.394 4.801 10 40 KJCB CCOc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 101108966 DWQRBQDZFVDNDY-QYCAXFPOSA-N 531.638 4.686 10 40 KJCB CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N4CCCC4)cc3C)c(=O)n2[C@H]1c1ccccc1 409055865 LJIHPHVYIFMHOO-NJGZBDCRSA-N 549.696 4.844 10 40 KJCB O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)Nc1ccc(Cl)cc1 409220150 YRBSKAHSBIQJDZ-YBFXNURJSA-N 599.781 4.695 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)c(Cl)c3)C2=O)cc1 409270046 BMGMHJCTMBTYNR-RGVLZGJSSA-N 554.386 4.994 10 40 KJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)OC 409343891 DSJRVSMEVHOQLT-LICLKQGHSA-N 508.961 4.605 10 40 KJCB COc1ccccc1NC(=O)COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC 409378560 QEQMNXAEHXJNGH-NDENLUEZSA-N 608.445 4.767 10 40 KJCB CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2=O)=N1 8451351 VLCHLUUQIWRCRK-JJHILCALSA-N 629.735 4.732 10 40 KJCB COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C2c2cccc(OC)c2O)cc1OC 19325989 UCPWCZAVOHQBNL-UHFFFAOYSA-N 508.615 4.842 10 40 KJCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCCOc1ccccc1 100323307 YSCZRNHVUQUHLO-SFQUDFHCSA-N 527.405 4.589 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN3CCOCC3)c2C)cc1 223144266 QCMJXVBVLQSXDG-URLMMPGGSA-N 532.758 4.640 10 40 KJCB CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)cc1 223182948 TYNTXBLSVQDRCR-VSGBNLITSA-N 503.716 4.746 10 40 KJCB Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN3CCOCC3)c2C)c1 223188626 ACGMIWKFIRJZFC-NSOVKSMOSA-N 503.716 4.801 10 40 KJCB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 408865769 FJYXEVPQLRQQAS-ODLFYWEKSA-N 503.382 4.774 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408879488 GLDXIYBTEAUCMB-GZTJUZNOSA-N 561.399 4.745 10 40 KJCB Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2Br)cc1 408944357 UMSDIQRBAFRHOJ-UDWIEESQSA-N 536.338 4.911 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c(=O)n32)cc1 409077605 GEXDLUKWIBJGRB-UXCHMGEPSA-N 609.708 4.781 10 40 KJCB Cc1ccc(NC(=O)COc2cccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)c2)cc1C 409379163 VFRYIAROBCLVHF-YDZHTSKRSA-N 564.461 4.915 10 40 KJCB N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 101033355 BGLWAAMMVLKCLZ-IOFGNLEFSA-N 531.041 4.975 10 40 KJCB CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC(=O)OC)c2C)cc1 223691603 RJORAICUKWKHAE-RRPNLBNLSA-N 505.688 4.871 10 40 KJCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 408779587 ZAVMWUNKSDBPPY-LDADJPATSA-N 529.309 4.504 10 40 KJCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 408807932 PGICHEVTVFICFQ-CIAFOILYSA-N 552.337 4.611 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1 408811628 RKYJMJMEJHZNHN-WSDLNYQXSA-N 548.979 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(Cl)c1 408938561 KZGXNYIRSDRNFV-UDWIEESQSA-N 507.886 4.502 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc(Cl)c1O 408941601 XHVTYPWMMAVLJB-VXLYETTFSA-N 513.333 4.953 10 40 KJCB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(C)n(-c4cccc(C)c4)c3C)c2=O)=N1 409036982 WUWMIOPHGBFQRV-CMISJSSVSA-N 511.647 4.514 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1 409039924 XQPAGMBHWQJMNY-SJXDCSIJSA-N 629.735 4.700 10 40 KJCB COc1ccc(-c2c(C)oc3c(CN4CCN(Cc5ccc6c(c5)OCO6)CC4)c(O)ccc3c2=O)cc1 41585066 YXGQDKIHNCTODT-UHFFFAOYSA-N 514.578 4.529 10 40 KJCB biogenic COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2N=[N+]=[N-])(c2ccccc2)c2ccccc2)cc1 100084029 GAKMADAUFBBJAW-KWXIBIRDSA-N 539.592 4.829 10 40 KJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)NC4CCCCC4)cc3)C(C(=O)OC)=C2C)cc1 408771269 FHFCEXHZNXXYGB-ITYLOYPMSA-N 518.610 4.790 10 40 KJCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408849324 ZJYQDPBZUHWXBY-ZMOGYAJESA-N 598.439 4.723 10 40 KJCB CN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(I)cc3)c(Br)c2)C(=O)NC1=S 408911754 DDVGYISWXKCDPR-AWNIVKPZSA-N 636.103 4.652 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4cccc(C)c4)c3C)c(=O)n2[C@@H]1c1ccccc1 408983983 LNQBIUUVUFLSKC-ABBNRAPFSA-N 511.647 4.514 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 409047626 OWVCMAUAQQGGMQ-UDWIEESQSA-N 561.399 4.745 10 40 KJCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)C2=O)cc1Cl 409272450 YUAOFPQUNIBNOZ-XDHOZWIPSA-N 524.360 4.986 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(OC)cc1 409378977 TVEYQDWEGJMUBP-CIAFOILYSA-N 612.408 4.679 10 40 KJCB Cc1ccccc1N1C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C(=O)N(c2ccccc2C)C1=S 9109008 CIESRWIKIYUZSD-SANMLTNESA-N 511.651 4.979 10 40 KJCB COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)NC2=S)cc1 9310980 DTCRNDWLYDYUHP-FYJGNVAPSA-N 508.983 4.768 10 40 KJCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 9375510 GQZIRLSOPALCTA-XIEYBQDHSA-N 500.580 4.966 10 40 KJCB COc1ccc(N2CCN(C(=O)C(=O)c3c(-c4ccc(OC)c(Cl)c4)cc4ccccn34)CC2)cc1 10119252 FLRHJEDHFLKCFF-UHFFFAOYSA-N 503.986 4.808 10 40 KJCB CC(=O)N1C(=O)/C(=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c2cc(Br)ccc21 101003689 BYNVNRJLEFIFGN-NXVVXOECSA-N 521.190 4.557 10 40 KJCB CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 104006956 BLDAJNHTOZRUBZ-PGCPQKEFSA-N 578.447 4.765 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(Cl)c1 408800803 PLQPAWQTWSZZHX-HYARGMPZSA-N 506.942 4.993 10 40 KJCB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(N5CCCCC5)cc4)c(=O)n32)c(OC)c1 409061202 XYMJBGLXBKAHMA-CXABMRDKSA-N 594.737 4.881 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409227783 WTGTURMEWZZIRH-NDENLUEZSA-N 579.494 4.850 10 40 KJCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(OC)c3)S2)CC1 9424177 ZKLWPFQUJSLLIQ-ULJHMMPZSA-N 516.623 4.793 10 40 KJCB CN(c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)C1CCCCC1 12614441 VRCPYMZRPADCGO-PYCFMQQDSA-N 504.681 4.907 10 40 KJCB O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(Cl)cc1Cl)OC21C(=O)c2ccccc2C1=O 100414200 JXCDQZPILSWKLP-NJYVYQBISA-N 537.311 4.597 10 40 KJCB Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)cc1 100414862 NTSJIRBXMCCEEV-JAXLGGSGSA-N 506.341 4.997 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408883972 SKBCGIRYKQLAAK-UDWIEESQSA-N 599.459 4.817 10 40 KJCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)C2=O)c1 408899381 OVUTVAPDFSRBGL-FYJGNVAPSA-N 548.393 4.750 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1cccc(Cl)c1 408940939 VRMSYJXIBQHOSL-FYJGNVAPSA-N 520.925 4.682 10 40 KJCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1 408989638 UQVIMIIOHTZVKW-HYARGMPZSA-N 539.373 4.928 10 40 KJCB CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC)C2=O)cc1OC 409126572 CTBOQGSRGJQUEF-GZTJUZNOSA-N 507.370 4.852 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409224370 JMLRDUAFUYZNTK-VXLYETTFSA-N 602.800 4.934 10 40 KJCB COC(=O)COc1cc(Br)c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC 409335102 YTOFORULJHEVOA-IUXPMGMMSA-N 512.378 4.554 10 40 KJCB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)c1 409384183 ATEGGKFZOSFTSS-QQXSKIMKSA-N 543.645 4.892 10 40 KJCB Cc1ccc2c(c1NCC(=O)CNc1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O 4235271 JWZXHFWZUOAAGN-UHFFFAOYSA-N 528.564 4.947 10 40 KJCB biogenic CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(OC)c4)c(OCC)c3)C(=O)N=C2S1 27533857 XFCGYCLTCOZARS-AKZCVUIYSA-N 508.600 4.971 10 40 KJCB CCCC1=NN2C(=N)/C(=C\c3cc(Br)ccc3OS(=O)(=O)c3ccc(C)cc3)C(=O)N=C2S1 59222160 SVVKIPVRAYXTFC-CYPXAJCBSA-N 547.456 4.944 10 40 KJCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1C 103860079 SQRANPJBBADBKG-RGVLZGJSSA-N 522.355 4.530 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OCc1ccc(I)cc1 408692336 KDJKFIFXUORRKN-VCHYOVAHSA-N 672.257 4.888 10 40 KJCB O=C(O)CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S 409265883 WODJXIUTKLJLDF-IDUWFGFVSA-N 511.408 4.687 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(CCCOC)C2=O)ccc1OCC(=O)Nc1ccccc1CC 409268868 YUILFWHEINILLQ-KQWNVCNZSA-N 514.669 4.903 10 40 KJCB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)c(Br)c3)C2=O)cc1 409270550 QTTCALDNERODQC-PDGQHHTCSA-N 612.820 4.573 10 40 KJCB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(I)c1O 409339179 FLMZEWPZIJSHFQ-DHDCSXOGSA-N 501.342 4.940 10 40 KJCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1 409345374 LSAFUUYEEPARSY-HZHRSRAPSA-N 533.631 4.567 10 40 KJCB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 100251970 XVSNEZTZKDYLQM-RQZCQDPDSA-N 541.394 4.801 10 40 KJCB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 163717617 YYDZORDAXAYMAR-LMSRTUJASA-N 637.512 4.795 10 40 KJCB CCN(CC)c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 223292412 KMCFTAGKLGPIRL-UHFFFAOYSA-N 516.063 4.707 10 40 KJCB COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)ccc1NS(C)(=O)=O 225430610 IWGHCJKJWFOXIG-WUFINQPMSA-N 622.729 4.963 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408795159 BOXDQBIQPASBAF-CIAFOILYSA-N 552.942 4.910 10 40 KJCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(OCc4cccc(F)c4)c(OC)c3)C2=O)cc1 408879899 FZOCCMJZRONQTA-RGVLZGJSSA-N 555.356 4.851 10 40 KJCB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCc1ccccc1F 408942299 YYFYXJUTDOGWBQ-YBFXNURJSA-N 631.354 4.983 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OC(C)C 409108948 ZSOKCFJAHLQQKV-RIYZIHGNSA-N 570.836 4.880 10 40 KJCB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 409226452 WJEZXFSFLHYFBX-UDWIEESQSA-N 540.359 4.686 10 40 KJCB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 409352684 XXUUMMWNFXIKPU-HMAPJEAMSA-N 554.049 4.912 10 40 KJCB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC 8819488 RDFWTTLQZRAWGW-UUYOSTAYSA-N 500.686 4.770 10 40 KJCB O=C1[C@@H]2[C@H](c3cccc(F)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 18266890 PGSHGPYRJVJDQT-ACRUOGEOSA-N 509.411 4.540 10 40 KJCB COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1 408779935 NYAWIPYZSWDQFB-BWAHOGKJSA-N 586.641 4.645 10 40 KJCB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C4C(=O)NC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1 408994501 ZMNKHMFBYPXJQY-UHFFFAOYSA-N 575.653 4.831 10 40 KJCB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1 409149761 PXLWOBLKQXRWCM-OEAKJJBVSA-N 568.007 4.810 10 40 KJCB CCOC(=O)COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC 409193606 HSKMTJDFNIFVCH-WQRHYEAKSA-N 508.415 4.805 10 40 KJCB COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(N3CCCCC3)cc2)c2cccc(Cl)c2)cc1 13673707 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