smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 5260989 IVHIYJIUIYQBKF-NRFANRHFSA-N 405.448 4.906 50 40 HJGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(CC(=O)O)cc1 408691588 GYWKXZZMYJUJBE-NDENLUEZSA-N 410.477 4.678 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)c1 409066855 CVKHYZZWHLNQPY-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1 409241939 SWBAXNOCYYCKEP-YZYPPFLQSA-N 414.421 4.566 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc2c(c1)OCO2 409355464 CRKBPIQQNXQYHE-JFLMPSFJSA-N 424.456 4.911 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(O)c1 409391546 JPXLREPJOCBONK-CVKSISIWSA-N 413.477 4.725 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 681275 UKIQEWVUCYFKSE-SRZZPIQSSA-N 401.260 4.746 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1Cl 5135369 QEUTZFDLGUUWOV-YDZHTSKRSA-N 414.914 4.682 50 40 HJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCCC)cc1 5431719 ARCZJZYVHUERCN-HYARGMPZSA-N 417.303 4.567 50 40 HJGB COc1ccc(/C=N/NC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 6625430 CUTRXLDUWQXFGE-PNXYNUCXSA-N 404.514 4.632 50 40 HJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9089016 GCRFTDZPHSRFDY-AUEPDCJTSA-N 412.280 4.937 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl 59334935 YJCLKKSFICOCPT-DHDCSXOGSA-N 419.706 4.677 50 40 HJGB O=C(c1cccs1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 96021452 HZCLDLYHKDRQII-NWDGAFQWSA-N 419.094 4.739 50 40 HJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1cccc([N+](=O)[O-])c1 107641418 CVDKEQAVPBVEJC-WCIBSUBMSA-N 424.048 4.890 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1C 408796365 NVZBARAURHSNDW-MKMNVTDBSA-N 419.264 4.619 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 409372079 XXZJXMJNCHVEHK-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccccc1-n1cccc1 657882 XBAXENMSTQUXGY-WPWMEQJKSA-N 413.452 4.959 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 4177297 KYLNGWXDLSXZBG-JOCHJYFZSA-N 404.853 4.843 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)ccc1OC 4505984 AWSJVECVCXHIFJ-UBCTUXONSA-N 416.521 4.879 50 40 HJGB COc1cc(C(=O)N/N=C(C)/C=C/[C@@H]2C(C)=CCCC2(C)C)cc(OC)c1OC 5861982 YWSFLRAAFFAQDA-ZCDYBFJJSA-N 400.519 4.757 50 40 HJGB CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)OC)cc2OC)cc1 9057142 RUOIJIUXNSPAFA-MXJLDLDKSA-N 414.502 4.747 50 40 HJGB CC(=O)Nc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1 33871073 AEAUKKMVFUUYNE-GQVHDAKQSA-N 404.495 4.544 50 40 HJGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccccc1Br 48502004 CUVBLIVULCFXBS-VQHVLOKHSA-N 412.106 4.819 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc2ccccc12 59334433 XGKNSSMWPFMFEG-STZFKDTASA-N 400.478 4.813 50 40 HJGB O=C(N/N=C\c1cccc(OCc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 408566463 GPBCOSAIZUNNBB-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1C 408739492 CGLACXVTTRFTFL-DHRITJCHSA-N 409.917 4.893 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1C 408960231 JYXMMGNFQHKEME-QFEZKATASA-N 417.465 4.736 50 40 HJGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 585139589 OXLOFSOSALNCTL-BBVLKOJJSA-N 412.917 4.673 50 40 HJGB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2198839 GLRQSHBILGIVON-MJHSOURCSA-N 411.549 4.826 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)o1 14407556 RXEPXIALGICEID-WSDLNYQXSA-N 413.271 4.693 50 40 HJGB COc1cc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 44965676 PRZFSCFUIUYDSB-JVWAILMASA-N 411.461 4.770 50 40 HJGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 59401613 SIYSYCWGXMALSP-WYZSWBMLSA-N 417.534 4.960 50 40 HJGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1 408711742 ILIYOIAQIZMSPH-ONUIUJJFSA-N 402.494 4.666 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1 3588583 UNBNXACQMDOGOI-WOJGMQOQSA-N 414.826 4.847 50 40 HJGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 5071086 BFPDKYRNKZZJGA-XSFVSMFZSA-N 409.445 4.993 50 40 HJGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 9075697 NENOVTFJEDVOET-YVLHZVERSA-N 414.442 4.767 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)[C@H]1COc2ccccc2O1 13552998 SGTYNHLMVDQJSB-MLZDUOQFSA-N 417.248 4.544 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(C)=O 16890657 YHLBDCXGWIFZIR-LZYBPNLTSA-N 421.434 4.716 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 59427272 KOBKNDQHMCLMON-MFKUBSTISA-N 412.449 4.919 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 118917680 AUKSBJWTRCVBGS-BOLXFECPSA-N 409.574 4.571 50 40 HJGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c(C#N)c1C 408748061 XUIDYNCVJXBHML-NHDPSOOVSA-N 414.534 4.868 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1F 408778734 XTPQMMXOIHRYAV-MFOYZWKCSA-N 416.880 4.888 50 40 HJGB Cc1c(Br)cc(/C=N/NC(=O)CCc2ccccc2)cc1Br 408947731 BFCHFJSXATVNDS-RGVLZGJSSA-N 424.136 4.603 50 40 HJGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1nc2ccccc2o1 409076193 ZHODQURFXBNKNM-SAPNQHFASA-N 402.431 4.660 50 40 HJGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 409139132 ADBCNRNKBOJKDO-ZROIWOOFSA-N 420.271 4.515 50 40 HJGB C/C(=N\NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccc(Cl)cc1 4851242 YYKIAYOAHDRFQY-NLRVBDNBSA-N 406.913 4.733 50 40 HJGB COC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 9013306 PCXNPDWNDGLJRJ-MSOLQXFVSA-N 412.898 4.851 50 40 HJGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O 20248657 WTVBXMGFECRKBD-AWQFTUOYSA-N 403.718 4.985 50 40 HJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1C 28217462 LKNRBHBFZFDCMW-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 33488905 ZECNZVGTRRYDBV-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNc2ccccc2C(F)(F)F)CC1 68773403 TVVLFAFSTMRFNJ-UHFFFAOYSA-N 422.407 4.607 50 40 HJGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1ccc(Br)cc1 408745572 SRWWQHFBNBLOET-XFXZXTDPSA-N 406.077 4.757 50 40 HJGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408746130 REISJWQSODOVAV-GHXNOFRVSA-N 421.678 4.665 50 40 HJGB N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2Br)c2ccccc21 2670685 ZXQZSLNAXODMSD-QINSGFPZSA-N 419.282 4.863 50 40 HJGB CCn1cc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c(C)n1 2760990 GZHBSFFETICJDJ-VULFUBBASA-N 411.509 4.807 50 40 HJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 14134333 QQPJBYBXIZWDTC-MZJWZYIUSA-N 412.880 4.979 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1cn(Cc3ccccc3Cl)c3ccccc13)C(C#N)=C(N)O2 17090435 ILNSWDDODVDARK-OAQYLSRUSA-N 415.884 4.593 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2 60544227 DPPKDXKYHYHOLI-YVLHZVERSA-N 403.413 4.508 50 40 HJGB COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 100970676 RDXZNWJBBBIILC-WPWMEQJKSA-N 416.481 4.573 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 409200142 QOJKMJFPBCVIDI-SQEMJAKJSA-N 410.452 4.586 50 40 HJGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2[nH]1 4066928 CYFOQAYXQVBMFV-BJMVGYQFSA-N 419.076 4.858 50 40 HJGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3/CCCc4ccccc43)cc2)n1 33910448 KBSNWYKHBFQMIT-QYQHSDTDSA-N 416.550 4.856 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 39884725 OVXHBNKNGJKVDX-SDNWHVSQSA-N 418.365 4.617 50 40 HJGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1Br)Sc1nc2ccccc2[nH]1 408598609 FTALLQZOHPSXCC-KPKJPENVSA-N 401.245 4.890 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c1 9358755 WYMLUYIXIFUMOP-MRXNPFEDSA-N 413.264 4.610 50 40 HJGB CC1=C(C#N)[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 25479796 BORIAUORYTZVII-JOCHJYFZSA-N 420.513 4.713 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408847988 XPOJXMPZPWQGMK-XNTDXEJSSA-N 400.837 4.988 50 40 HJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 409203057 VVSPFMZGLILVSH-AQTBWJFISA-N 417.396 4.816 50 40 HJGB Cc1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)c(C)c1 4600437 NDRHVJVTKPTVOF-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB COc1ccc(OC)c([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 16037256 YNZLOVKLANRPRD-REDKUUPNSA-N 416.525 4.570 50 40 HJGB C/C(=C(\SS/C(C(=O)O)=C(\C)c1cccc(O)c1)C(=O)O)c1cccc(O)c1 17020390 LXMJGQKMKQGGBM-JYFOCSDGSA-N 418.492 4.811 50 40 HJGB O=C(NN(Cc1ccccc1)c1ccccc1)c1cc(Br)cnc1Cl 60341605 YZCUOFOSBRAHJH-UHFFFAOYSA-N 416.706 4.849 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cc2cc(Cl)ccc2o1 409017933 KDUGWZBOOXYECC-KSEXSDGBSA-N 408.797 4.808 50 40 HJGB Cc1cc(I)ccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 952686 VBURUQSCFKJFCB-UKTHLTGXSA-N 422.653 4.799 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 3231327 ITWJSDIGDPRWJL-GXDHUFHOSA-N 401.235 4.699 50 40 HJGB N#CC(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)=C1Nc2ccccc2N1 3303973 ZDFDUEFRTJMMJM-UHFFFAOYSA-N 410.808 4.688 50 40 HJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OC 408569956 RFSWKEDKHVBUQI-SDQBBNPISA-N 416.250 4.936 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1O 408794294 HZENOLVROGKWGR-KPKJPENVSA-N 421.678 4.752 50 40 HJGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 409013300 MUFVZOGWDYMVJX-PUFAJPFRSA-N 421.906 4.668 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Cl)cc1OC 409022025 HYUCWGKLXDMFJC-YVNNLAQVSA-N 407.253 4.911 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)o1 409257567 TVFJPFDSJZXDKV-WGOQTCKBSA-N 418.493 4.724 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)o2)cc1 4137489 LONBQEMZRLVUJK-GHRIWEEISA-N 411.417 4.836 50 40 HJGB COc1cc([C@H]2C(C#N)=C(SC)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 5026736 CSCDMFHTYBHFNW-SFHVURJKSA-N 414.527 4.981 50 40 HJGB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1nnc2n1CCCCC2 6045983 OOSUPABXKSVQIM-SDNWHVSQSA-N 413.312 4.870 50 40 HJGB CSc1ccc([C@@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 6477137 AICFUQQJJZJXPO-IBGZPJMESA-N 410.564 4.868 50 40 HJGB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)CCn1c3ccccc3c3ccccc31)C2=O 101102965 QZGRWQTUKOILIZ-YACHXRIOSA-N 401.510 4.682 50 40 HJGB COC1(OC)[C@H]2C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@H]2c1ccccc1 104086293 VHGYJUMOIKJSEC-QPPBUOOMSA-N 412.538 4.833 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1cc(C)ccc1C 408720133 TVLBPANRZACWKH-RCCKNPSSSA-N 405.361 4.840 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccccc1Cl 408737758 WRVJCBDJMDHWGT-CVKSISIWSA-N 422.912 4.929 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 408775119 ZBWLKCAZSOHMCO-SXGWCWSVSA-N 417.278 4.599 50 40 HJGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408806013 DSYMLISZBFMRAV-NTEUORMPSA-N 401.249 4.560 50 40 HJGB CCCCCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCC)cc2)n[nH]1 4677665 DVZHVIDGWIEONF-KOEQRZSOSA-N 420.513 4.808 50 40 HJGB N#C/C(=C\c1cccn1-c1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35045187 KIHJRHKOZNMLFQ-NTCAYCPXSA-N 416.481 4.974 50 40 HJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC 409376327 XDAWBRSDNRXHJB-CHOFVFFHSA-N 404.894 4.607 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2Nc2ccccc2)c1 5587969 JJQCFQMWACMYFD-UHFFFAOYSA-N 417.509 4.702 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 12362707 RCKWFNJQZHICRV-KWZPGYENSA-N 407.558 4.790 50 40 HJGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br 26123555 SFBNLNAFFAVVFN-OEAKJJBVSA-N 409.283 4.931 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 59333715 WYJXSMVSNUARLH-SXGWCWSVSA-N 419.308 4.966 50 40 HJGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339746 IJYKFCUWLWNTRA-UHFFFAOYSA-N 424.509 4.592 50 40 HJGB FC(F)COc1c(Br)cc(CBr)cc1Br 236149117 GRLKJBJFNOWYPM-UHFFFAOYSA-N 408.862 4.750 50 40 HJGB C/C(=N\NC(=O)COc1ccc(C)cc1C(C)C)c1ccccc1Br 4863448 BCEFXGHQMRXLNK-PXLXIMEGSA-N 403.320 4.800 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1OC 5288749 PTJBWLAGKXHQRD-RHOWTMNOSA-N 414.505 4.550 50 40 HJGB Cn1c(C(=O)N/N=C(/c2ccc(O)cc2)c2ccc(Cl)cc2)cc2ccccc21 9434920 VYIXTWHCYJUVNE-YYDJUVGSSA-N 403.869 4.720 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)C)cc1 33646332 BQSMAMPXMPAOPI-MYYYXRDXSA-N 418.497 4.819 50 40 HJGB CN1/C(=C/C=N/NC(=O)COc2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21 33910911 KWDAZVUNSZUHEY-LZXOGQCDSA-N 418.324 4.786 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1 409043963 AGOGWOKLQVODQF-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2 942017 JOZRJXLXAWCSGT-RGHBXIHOSA-N 424.522 4.604 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 2349670 NVALIJSNNSVDJE-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 15225893 XSRQZWWSYREYJC-WQRHYEAKSA-N 407.901 4.874 50 40 HJGB CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 23411049 ONMGLBSLIWOTGD-OYKKKHCWSA-N 421.453 4.681 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1O 59117091 QJNWTYPWISVCEW-WUXMJOGZSA-N 421.678 4.752 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408805401 AVJQTYKNNIBRPE-LZNAANCOSA-N 413.315 4.850 50 40 HJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc(OC)c1OC 692242 WUXYQXSPHDYETR-FQEVSTJZSA-N 422.868 4.737 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O3)cc1 803802 GEFHWDUHAAYUCJ-SFHVURJKSA-N 410.449 4.507 50 40 HJGB COc1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1 1801132 MLPPWOCIMOXDHH-LSDHHAIUSA-N 413.109 4.533 50 40 HJGB O=C(c1ccccc1O)[C@@H](Br)[C@@H](Br)c1ccc(F)cc1 4277150 OYUFHINMSISLIY-KBPBESRZSA-N 402.057 4.614 50 40 HJGB Cc1ccc(Cn2cc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 33674769 QSAXARNAKNVIHV-QFEZKATASA-N 412.449 4.670 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccccc3)o2)cc1 58915525 VUWIFUVEJUFSLU-ZVHZXABRSA-N 422.506 4.507 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccnc2)c1C 408858760 PINPRFRBGYDNIG-LICLKQGHSA-N 406.873 4.697 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2c1 409187099 LZVMXCOZYLWZAU-YDZHTSKRSA-N 419.393 4.764 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 409247344 MZRVULIOHYJTSN-QSSXUJFUSA-N 414.505 4.610 50 40 HJGB Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 1404972 PROXXLCXGNDBEC-UHFFFAOYSA-N 424.913 4.854 50 40 HJGB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2198834 GLRQSHBILGIVON-QMFOPCRCSA-N 411.549 4.826 50 40 HJGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)cc1 4318589 KTFVVFAYBAIBSN-XNTDXEJSSA-N 409.492 4.681 50 40 HJGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4603866 ZIUIKPXXLVFRTO-NTEUORMPSA-N 410.842 4.917 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C(=O)O)cc1 4675480 SXFOBDFNRVSPLS-WJDWOHSUSA-N 405.841 4.683 50 40 HJGB CSCc1c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)oc2ccccc12 6943698 GLTXUEDAOWYWFH-UHFFFAOYSA-N 412.555 4.663 50 40 HJGB COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)c(OC)c1 33676977 YDQDFCGLRYNMHC-UDWIEESQSA-N 415.474 4.676 50 40 HJGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1 408706766 DIISXHJQLKUOQF-DHRITJCHSA-N 424.863 4.620 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)sc(N)c1C#N 408723746 IMYSZTPTGOFBQZ-OPEKNORGSA-N 424.913 4.507 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccnc1 408730206 OOWSSROJLSXIGO-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408790100 NPICPAZKLRABGF-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 408816228 SZHKPJQQOJPEDA-IERINAHZSA-N 407.473 4.922 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408980935 UMMYRQQHDSYTOX-JZZXMACJSA-N 413.521 4.822 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1OC(C)C 409011185 MRJFOXYEXPXVIO-MFKUBSTISA-N 405.498 4.654 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1I 409392864 OCNRLQLKEPHPLQ-DHDCSXOGSA-N 403.194 4.506 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OCCC)c1 2190141 PPGDYRHLUQCJDO-HYARGMPZSA-N 419.319 4.791 50 40 HJGB Cc1cc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)ccc1Cl 3136682 UJSGWHTZFXKRHW-AWTHELJJSA-N 407.695 4.565 50 40 HJGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Cl 3170224 ZPTCLXVYEMGPLB-STPJHCLOSA-N 408.885 4.837 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)c1 8811100 WADQJCALGFWWSN-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 10315713 SOPZQADFOOGZLA-MFKUBSTISA-N 409.917 4.839 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1Cl 15018738 LVZMFLPYRBIPSJ-KSEXSDGBSA-N 417.248 4.804 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1 28215891 RKKNRGDPMFATBC-DHRITJCHSA-N 409.530 4.925 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 39884403 CWVCOGLRGKSQOQ-NTCAYCPXSA-N 403.394 4.718 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(F)c1 59306235 SWLFDEABOKWTJP-MTJSOVHGSA-N 416.452 4.637 50 40 HJGB O=C1OC(=O)[C@H]2[C@H]1[C@]1(c3ccccc3)O[C@]2(c2ccccc2)c2cc3ccccc3cc21 102441975 XRZQIPZRFLYILV-NFFAYCCRSA-N 418.448 4.687 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)c1 408744939 IJKYNLJIQCBVIF-ATVHPVEESA-N 416.433 4.596 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 409077343 FBSDCJHWYHLIPR-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB O=c1sc2ccccc2n1CCSSCCn1c(=O)sc2ccccc21 1714842 KRWPSOXRMTZDGE-UHFFFAOYSA-N 420.606 4.521 50 40 HJGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N 2332579 FRXSZSGIURKSFD-KRWDZBQOSA-N 411.914 4.568 50 40 HJGB CCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1 20132519 MAHYBLGZDCKSBP-VIFPVBQESA-N 406.143 4.869 50 40 HJGB Cc1cc(C(=O)/C(C#N)=C\c2csc(-c3ccccn3)n2)c(C)n1CC(F)(F)F 44028166 XHTCISPVZJYVTI-ZSOIEALJSA-N 416.428 4.976 50 40 HJGB C[PH]1(CCc2ccc(Cl)cc2)C[C@@H](Br)[C@H](Br)C1 104137290 HGTBSNZGTMVFRK-CHWSQXEVSA-N 400.522 4.803 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OC 409362952 KOLRUCIBVMOKOL-NSIKDUERSA-N 402.244 4.649 50 40 HJGB CCN(CC)c1ccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)cc1 3237107 LXBKGAWJCFUYFC-QWYLDISPSA-N 400.320 4.684 50 40 HJGB N#CC(=C\c1cccc([N+](=O)[O-])c1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 4953785 JTCSTEANJYBHGC-IZZDOVSWSA-N 406.276 4.717 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H]1COc2ccccc2O1 9380141 FQTUYYIXBXATDW-FGKSSUIQSA-N 417.248 4.544 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c(Cl)cc1OC 33657145 YTHGOFLFLGQOSA-ZMOGYAJESA-N 412.873 4.673 50 40 HJGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887355 ZXXYSVJQFRJFDA-SECBINFHSA-N 409.656 4.920 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cccc(F)c2)cc1 408872889 KRRJCCKQFSUUPR-XSFVSMFZSA-N 416.452 4.979 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1 409068027 HBUWKUGWDMEOJD-NBVRZTHBSA-N 415.474 4.703 50 40 HJGB COc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl 409215725 DSGLVIAYGNNKCH-DNTJNYDQSA-N 403.718 4.898 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@H](Br)C2=O 100868313 VBZCTPJZVASQHJ-CSMYWGQOSA-N 418.253 4.803 50 40 HJGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC)c(OC)cc1Cl 408822452 BXXMZZVYIWIAAB-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB Cc1cc(C)c(CSc2ccc(Br)cc2)cc1/C=C(\C#N)C(N)=O 2727903 GDGKMUAHXLYRJR-OVCLIPMQSA-N 401.329 4.751 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)o2)cc1 4827544 MHZOMLZEYUFHRT-ZMOGYAJESA-N 410.857 4.849 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(O)cc1 15228277 CWZNTDQFZCNZLJ-STZFKDTASA-N 424.504 4.547 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OC)c(Cl)c1 33661085 RLSLRZLGIKSLRC-FOKLQQMPSA-N 403.265 4.928 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)OC(C)C 408602574 CSLFLQSKORACBY-VCHYOVAHSA-N 419.481 4.583 50 40 HJGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408758972 VUHIMELWSVQOLI-JYRVWZFOSA-N 419.662 4.573 50 40 HJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(Cl)c1 408776964 TYDLIRNTXOAIRE-GDNBJRDFSA-N 420.812 4.981 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1O 5463496 SZCQBLSRGUVOSZ-WSDLNYQXSA-N 419.319 4.615 50 40 HJGB Cc1cc(OCCCOc2ccccc2/C=N/NC(=O)c2ccncc2)ccc1Cl 9425506 MWRQXWSMMFLQES-WGOQTCKBSA-N 423.900 4.655 50 40 HJGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 100377370 GROKGQJVNZNIGU-NFUMRCFGSA-N 401.850 4.785 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(Br)c2)cc1Cl 409009074 UQQZBGIKIZAIRD-WSDLNYQXSA-N 416.706 4.966 50 40 HJGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2cccnc12 944710 VGFPZTYLZNHFNU-DTQAZKPQSA-N 410.389 4.949 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1C 1022199 RPKOCDHAVBDRHZ-JFLMPSFJSA-N 411.505 4.836 50 40 HJGB CN1/C(=C2/S/C(=N\CCCl)N(c3ccccc3)C2=O)Sc2ccccc21 3082391 HAUQWCWXBMWHTA-HSHHTGOPSA-N 401.944 4.772 50 40 HJGB C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cccnc1 9403425 SSJVQZBBQCTQBN-OGLMXYFKSA-N 420.472 4.549 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19805246 KWPXQJDDZOQFIP-KUDIEGTJSA-N 419.475 4.834 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(Br)c1 20248120 AKXZIYBSLBWLGW-UDWIEESQSA-N 411.752 4.876 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 59676764 KZRUWNDCONHLEX-MOHJPFBDSA-N 424.548 4.658 50 40 HJGB O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 100834368 AGBQGWACICKWST-UHFFFAOYSA-N 417.385 4.675 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 408966804 OGLPFNUSIGUTRC-JFLMPSFJSA-N 412.493 4.723 50 40 HJGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(C)o1 1445482 HGDDGIDJRAJGNQ-QQZPLFJDSA-N 415.287 4.811 50 40 HJGB COC(=O)c1ccccc1S[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1 5721557 VILALQWSFYHENT-KRWDZBQOSA-N 418.518 4.523 50 40 HJGB Cc1ccc([C@@H](NC(=O)NNC(=O)c2oc3ccccc3c2C)c2cccs2)cc1 58004730 LOSLSZLTDYJGTP-HXUWFJFHSA-N 419.506 4.845 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC#N 408799465 ZENJXQLOTYLOIE-LICLKQGHSA-N 409.873 4.804 50 40 HJGB COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409192232 VUNUPKNRQQCADM-UFWORHAWSA-N 402.075 4.528 50 40 HJGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2 44028797 OHRWLDOFGKGGJK-GIJQJNRQSA-N 419.868 4.720 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 59417848 IJOPCULDSQDHRL-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)o1 408591161 RSKNRCHAGCQHLM-SRZZPIQSSA-N 400.276 4.522 50 40 HJGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408817842 WJNIHXMYFDBXKL-RVDMUPIBSA-N 415.287 4.792 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2ccccn2)o1 408991089 MRNICRKMZZSEMG-LSHDLFTRSA-N 422.293 4.662 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 409120901 WTTAUDLXJOQCKX-FLFQWRMESA-N 407.473 4.766 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1CN1CCCc2ccccc21 3585003 CXMGYIVYCDWTFR-WPWMEQJKSA-N 413.521 4.720 50 40 HJGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NCc1ccccc1 6223127 WAOADSJKHNKWOL-XNTDXEJSSA-N 407.813 4.732 50 40 HJGB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(/C=N/NC(=O)OC(C)(C)C)c2)n1 91695280 DUXGMECYQBBHJW-WYMPLXKRSA-N 408.424 4.692 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 408532239 QATRZSYVOTZUPR-CCVNUDIWSA-N 414.484 4.699 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 408777703 GIYPBCANEGICLW-PCLIKHOPSA-N 403.551 4.950 50 40 HJGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408850954 HAAMEKCJADZQLB-UWVJOHFNSA-N 404.397 4.694 50 40 HJGB CCOc1ccc([C@H](CO[Si](C)(C)C(C)(C)C)N[S@](=O)C(C)(C)C)cn1 498050536 LVOQPODXLJKNOC-IVCQMTBJSA-N 400.661 4.595 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 2202196 BQCKMQGDMSOFLC-PTNGSMBKSA-N 419.462 4.692 50 40 HJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1 2308907 PZTQZDIHYVBMLW-RCCKNPSSSA-N 413.477 4.817 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c2ccccc12 8382697 LIFSBPJSVYHMGB-HXUWFJFHSA-N 412.424 4.596 50 40 HJGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20133367 BTSGCIBMBYWIQA-SECBINFHSA-N 410.106 4.556 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 20248819 DIIHVACJZHSTDC-SRZZPIQSSA-N 405.361 4.956 50 40 HJGB Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1 26962809 WEXFEODCLNJBFD-XSFVSMFZSA-N 422.488 4.973 50 40 HJGB O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 34719587 VUXRKYZPNUHZNK-MXAYSNPKSA-N 416.412 4.501 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](/C(C)=N\NC(N)=O)[C@@]4(C)CC[C@H]32)C1 36505260 GFJOPLHDGOHLPB-ZQHAVHHOSA-N 415.578 4.541 50 40 HJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1cccc2ccccc12 59417824 BBTZNYXGZQXPIK-BUVRLJJBSA-N 423.310 4.860 50 40 HJGB CC(C)COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br 408600724 FOJXAUWEFHFJFJ-MHWRWJLKSA-N 405.336 4.840 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc(Br)cc1 408773069 SHFLVRYAOHVXME-JAIQZWGSSA-N 402.317 4.682 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1NC(=O)c1ccccc1 409199371 BYQPOJBUIKHAFN-UYRXBGFRSA-N 418.884 4.688 50 40 HJGB COc1cccc(/C=C(/C#N)c2cccc(F)c2)c1OCC(=O)Nc1ccccc1 409389897 CVACVXSNELTTRC-UYRXBGFRSA-N 402.425 4.916 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867512 FSPKTTBOSYAWSJ-LDADJPATSA-N 417.396 4.859 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 2302716 QOFOLKZKBHHTOX-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 4923272 KIJOECKRFMYNSC-LJQANCHMSA-N 407.564 4.936 50 40 HJGB CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 33560722 JLKNVTUMFFBHSI-LCYFTJDESA-N 404.695 4.714 50 40 HJGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(C(C)(C)C)cc1 100522856 LGQFOPXAPIQJHK-WPWMEQJKSA-N 405.542 4.997 50 40 HJGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1ccc(Br)o1 245241688 MTPXYLUJLHOUGK-CQSZACIVSA-N 413.271 4.627 50 40 HJGB COc1cccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1OC(C)C 408554158 QNDAJRYCESFVGO-LFIBNONCSA-N 421.522 4.840 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc([N+](=O)[O-])c1 408856753 KZOKPYRMLVXJAK-QRVIBDJDSA-N 402.410 4.512 50 40 HJGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409188479 ZQYGCGJVRJHDPR-IWIPYMOSSA-N 408.454 4.559 50 40 HJGB OB(O)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccccc2)cc1 2362797636 YFANETGLWKYWBV-UHFFFAOYSA-N 414.273 4.679 50 40 HJGB CC(=O)c1ccccc1OCCOC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C 15276650 SVQPNBZGNOZGCM-PXLXIMEGSA-N 422.525 4.883 50 40 HJGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Br)c2)cc1 20248635 WNBORQDIKGDLQP-KGENOOAVSA-N 421.360 4.621 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc2c(c1)OCCO2 20859961 HFQBCUMUQMHBSU-RVDMUPIBSA-N 406.825 4.917 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 33615725 JNUUTQZFTUDUDD-BRJLIKDPSA-N 415.371 4.688 50 40 HJGB COc1cc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc(OC)c1OC 35317712 QGEAXNGJJBJFBG-YVNNLAQVSA-N 418.902 4.653 50 40 HJGB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NNc1ccccc1C(F)(F)F 40087713 NBIJYFSMLIOQPM-UHFFFAOYSA-N 410.346 4.543 50 40 HJGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)Cc2cccc3ccccc23)c1O 44950424 RZTTWRKMMWUTIN-WYMPLXKRSA-N 417.292 4.944 50 40 HJGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208252484 UMEPLXSJSDUBNY-ZXCVBSDHSA-N 414.893 4.734 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1 223175863 AQGFQKJLKJXCPZ-STZFKDTASA-N 413.477 4.735 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1cccc(Br)c1 408586421 BUKFMMCQYQGZHN-RGVLZGJSSA-N 402.317 4.682 50 40 HJGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719416 DPEHWKXMTQSFBB-OAKZWBAKSA-N 418.518 4.678 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NC[C@H]1CCCO1 408734449 GMKWVRNIRNVSOS-WLGHQHAYSA-N 412.489 4.621 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 409344860 LCFXDWMBOHFNGU-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 803807 RWZDTBWLYXBUPQ-GOSISDBHSA-N 410.449 4.507 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 35124748 AHELAPUDZNSRHL-CFRMEGHHSA-N 424.888 4.657 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nc2cc([N+](=O)[O-])ccc2[nH]1 107922583 VVSNGJINNSWBHK-YCRREMRBSA-N 404.169 4.750 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 216047237 XFMZWKFTDAFHBU-ZROIWOOFSA-N 401.249 4.560 50 40 HJGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccccc1 408544642 WCVFADGSWLSBPD-OVCLIPMQSA-N 417.328 4.620 50 40 HJGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 408592492 YPCIFJJVPRZRCZ-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Oc2nc(Cl)ncc2F)c1 409064936 RDDRVYUFEUAJNF-NTEUORMPSA-N 424.819 4.616 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)c(OC)c3)n2)cc1 2220100 RHJUXHVATCWDBE-NTCAYCPXSA-N 423.494 4.821 50 40 HJGB CN(C)C(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 2255818 OFHDYWCFIYUAOT-JXMROGBWSA-N 411.708 4.842 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc(F)c1 408771857 KQWSZMDBBUBUJG-IUXPMGMMSA-N 416.880 4.888 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1 408777509 AYAFGCKFPLQPPL-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408789652 QPORBZSDCQLQFB-LTGZKZEYSA-N 409.445 4.714 50 40 HJGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)o2)cc1 408982249 JFZBMWOJOCYCCJ-XMHGGMMESA-N 418.449 4.720 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 409362232 IPCHVXSRZYRDNU-LQKURTRISA-N 406.489 4.563 50 40 HJGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1 1977574 RNPHMOJKKOIHNR-VZUCSPMQSA-N 424.048 4.890 50 40 HJGB N#C/C(=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)NC1CCCCC1 4524306 DCXASBXJJWGTJY-CPNJWEJPSA-N 405.454 4.530 50 40 HJGB CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nc2ccccc21 4869709 GBBAOYYEMGECDT-XYGWBWBKSA-N 402.523 4.842 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 7695480 HQTBTDRCMXJOST-MSMNXAATSA-N 410.473 4.827 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 7931930 UJXAQHPWWATEID-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB O=C([C@@H](Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19680861 DPQZTGRTPFXBTC-QHCPKHFHSA-N 404.941 4.900 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 409369125 DAUSICWBQBQNDN-JFLMPSFJSA-N 415.468 4.530 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(-c2ccccc2)cc1 3218332 NSXRPHBYZSZAHR-UHFFFAOYSA-N 415.276 4.500 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c1 4723450 ZVEYNXXHXIENFB-GZTJUZNOSA-N 416.433 4.898 50 40 HJGB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)C(C#N)=C(SCC#N)N1 9761274 ZWJYCBPPGKMPHM-FQEVSTJZSA-N 420.925 4.931 50 40 HJGB O=C(/C=C/c1ccc(F)cc1)NNc1nc(-c2cccs2)cc(C(F)(F)F)n1 12849030 XHYLJFHWPUUUDS-VMPITWQZSA-N 408.380 4.520 50 40 HJGB N#C/C(=C\c1nc2ccccc2[nH]1)c1cc(Br)cc(Br)c1O 16525065 ONHSIOJRBFETAG-WEVVVXLNSA-N 419.076 4.858 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 23218317 OSHWPFQZYKREBE-WUXMJOGZSA-N 417.657 4.893 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c2ccccc12 408790129 NXBWVXQSUFMBSN-NBVRZTHBSA-N 400.434 4.571 50 40 HJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC 408890139 ONMNWQCXMNAABX-VGOFMYFVSA-N 415.833 4.510 50 40 HJGB COc1ccc([C@@H]2[C@@H]3C[C@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 658652 HIMCHXQWQSFCCM-ZFJSRUIDSA-N 406.489 4.683 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)C 1453883 KCEJWFGTGMNEEE-XNTDXEJSSA-N 415.287 4.791 50 40 HJGB O=C(N/N=C/c1c(-c2ccc(F)cc2)nc2sc3c(n12)CCCC3)c1cccs1 4109003 KRKVTZZFAXRHFL-FSJBWODESA-N 424.526 4.906 50 40 HJGB C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 9763698 KYDSGVUJTGGYPN-DHDCSXOGSA-N 422.282 4.719 50 40 HJGB N#C/C(=C/Nc1ccccc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 16671821 YTBGOSNVEGCJKY-KAMYIIQDSA-N 416.418 4.801 50 40 HJGB CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195251 FDLLENPCCWIBPV-ZVHZXABRSA-N 402.922 4.837 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)c1 59427014 ROPYURJIQMDAGC-DHRITJCHSA-N 409.917 4.893 50 40 HJGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Cl 409326487 KWAROCGCRWOCDK-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB Cc1nn(Cc2cccc(C(=O)N/N=C/c3cccc4cccnc34)c2)c(C)c1Cl 656499 SCLZRGCMVNTUPA-LGJNPRDNSA-N 417.900 4.514 50 40 HJGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 985828 QFAKULKMSXKJTI-NRFANRHFSA-N 413.525 4.559 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1 6044020 XPNWJMVERWQMAV-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1cccc2cc(/C=C(\C#N)c3nc4c(C)cc(C)cc4c(=O)[nH]3)c(Cl)nc12 6187799 YVZBUCIWSBXACF-MHWRWJLKSA-N 416.868 4.814 50 40 HJGB COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccccc4)cs3)n2)cc1 16956863 KBHROPAHGZLINA-UHFFFAOYSA-N 424.913 4.849 50 40 HJGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)cc1)C2 59501507 JTHSNSKAOPMZDS-JFLMPSFJSA-N 412.537 4.654 50 40 HJGB CCCOc1ccc(Br)cc1/C=C/C(=O)Oc1ccc([N+](=O)[O-])cc1 103592993 TXAZRYFYGDCFRS-XCVCLJGOSA-N 406.232 4.765 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCC 408796867 QLPZPMRRBQRZNX-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 841909 CCTHLXZAFBWVAH-KRWDZBQOSA-N 415.276 4.775 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 6222991 DQALGJIJWPEQJM-NKFKGCMQSA-N 418.500 4.805 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 6223282 DUINAKYHKZREAD-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc([N+](=O)[O-])c1 7893624 LPDHQSVMGQYNRX-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 408599170 POLFSESOIGKMOG-MFKUBSTISA-N 412.917 4.812 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)cc1 409005621 FQDGMZTXEHPPFD-CPNJWEJPSA-N 400.434 4.896 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1C 664717 HSSPEYXGPOTQAN-QGZVFWFLSA-N 421.298 4.674 50 40 HJGB CCc1cc(C)cc(OCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)c1 4603881 ODYNTDOPHYMLKO-NLRVBDNBSA-N 402.494 4.779 50 40 HJGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 6929252 UOJIKQUJKKKWFH-AFUMVMLFSA-N 408.933 4.955 50 40 HJGB N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152109 QQUSIKCVJPUNGG-JXMROGBWSA-N 418.341 4.868 50 40 HJGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c(OC)cc1Cl 408829325 FMZZLPHMBGCDNA-OQLLNIDSSA-N 400.862 4.690 50 40 HJGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408866411 HFGDGOOSPTUXFN-XLTYDMAOSA-N 400.862 4.575 50 40 HJGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1 1453333 NEOAIYHLHLHGFH-DTQAZKPQSA-N 404.397 4.808 50 40 HJGB CCn1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 2304071 BXQKIFPHSXAQKK-SSDVNMTOSA-N 410.271 4.934 50 40 HJGB CCc1cc(Br)cc2sc(NC(=O)[C@H](Br)CC)nc12 20132332 ZHESUKHVQFLLDC-SECBINFHSA-N 406.143 4.733 50 40 HJGB CC(C)[C@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20133373 QSVCGHVHQVQCNT-VIFPVBQESA-N 410.106 4.556 50 40 HJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)OC(C)(C)C)oc1ccccc12 100337763 PKXWFLFMARRRBP-ZMOGYAJESA-N 411.458 4.824 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(NC(C)=O)c1 107919954 VJJMTRBBPKHBLM-PCLIKHOPSA-N 403.482 4.741 50 40 HJGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccccc3O)cc2[N+](=O)[O-])cc1 108647335 MNSWYAXOJVMXHZ-XKZIYDEJSA-N 407.451 4.524 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 213140397 JMQOAJLRBGKJNF-IYWFSZBXSA-N 400.434 4.518 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c(C#N)c1C 408545975 BAIDGRMVGWFPJS-LICLKQGHSA-N 422.506 4.611 50 40 HJGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408722868 XZIXMIUQWNSTKN-FSJBWODESA-N 424.913 4.701 50 40 HJGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1cccc(Br)c1 408763224 RRTFUCRPFAYMRW-TWGQIWQCSA-N 412.106 4.819 50 40 HJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 408763885 LBOLYBALDSLWSL-YSMPRRRNSA-N 403.526 4.802 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)c(C)c1 408848727 SDIQPZWMDDTWIT-CFRMEGHHSA-N 402.406 4.552 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCCC4)cc3C)cc2c1 409186357 AVKDTIIZGJFKBA-XYGWBWBKSA-N 405.498 4.894 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)ccc1OC 409326484 KRZOYZQEWNCOSQ-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 2283674 LXJJIDPHMFVEQK-VFNWGFHPSA-N 406.869 4.557 50 40 HJGB COc1ccccc1/C=C/C=N/NC(=O)c1ccccc1OCCOc1ccccc1 3271276 RPWYZSOJLBZBJE-SIHUITKZSA-N 416.477 4.582 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1Cl 6217940 OZMSTFMSKIXKAM-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Cl)cc1Cl 33957740 NHWNYFRCKOVCTC-BRJLIKDPSA-N 424.287 4.612 50 40 HJGB COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4cccs4)C3)C2)cc1 100225956 FKNUFCZFMYIGJZ-MCYGRBBYSA-N 423.538 4.782 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)c1 408756304 PVXSDYWWXRXQQL-AUOWNFNXSA-N 420.520 4.610 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OC 408786547 KHOMPKNBFGZWEA-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408874942 GKWHTHRGVMYTID-NTEUORMPSA-N 404.775 4.916 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@@H]2c1cccs1 707322 BSEPECNZEMTLNK-HXUWFJFHSA-N 400.507 4.561 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)c1 5874660 ZVEYNXXHXIENFB-BOPFTXTBSA-N 416.433 4.898 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(Cl)cc1 16488844 BADXRWNGVKYTLK-TXPKVOOTSA-N 418.806 4.528 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 17118695 RCKWFNJQZHICRV-RWCMISGISA-N 407.558 4.790 50 40 HJGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl 20348348 LJKDEHWKMOZLAY-HNNXBMFYSA-N 413.905 4.694 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408798551 VVINFQAPGWCMBF-KGENOOAVSA-N 412.445 4.818 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 409189115 DAFVMHRHGYXSHO-SDNWHVSQSA-N 412.873 4.742 50 40 HJGB N#CC1=C(SCc2ccccc2Br)NC(=O)[C@@H](C#N)C12CCCCC2 850033 FIXRSRDLEOQXTD-CQSZACIVSA-N 416.344 4.638 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 4980912 BPTQVXVRYIEABV-JJFYIABZSA-N 403.269 4.546 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCc2csc(-c3ccc(F)cc3)n2)cc1 14846060 NLOWWSDKQYBAKT-GZTJUZNOSA-N 407.470 4.666 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 30820849 GLSZBYGDQKXMDX-WZJLVRHISA-N 420.465 4.541 50 40 HJGB O=C(CCl)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 72406723 PGNYURQZUBXOMB-CYBMUJFWSA-N 404.841 4.580 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1 107814399 BXWOZSMBBDULFD-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408728881 VWMCQMIUXHYEMF-FSJBWODESA-N 403.265 4.955 50 40 HJGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408762695 LVFKMPDPBPEPQO-NTUHNPAUSA-N 419.662 4.573 50 40 HJGB Cc1c(/C=N\NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c2ccccc2n1C 408845892 MDOWISIUCVHBTG-AQHIEDMUSA-N 424.715 4.976 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCC 409076025 WPZNGQGPUUUNKP-LDADJPATSA-N 421.453 4.666 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 2807746 SWPJIHDZLLHPFW-LGMDPLHJSA-N 402.406 4.589 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c(OCCC)c1 3174772 SVGYOSFDFVUGLR-YZSQISJMSA-N 420.509 4.947 50 40 HJGB N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 4106563 BSALFTUVBDFFCP-NBVRZTHBSA-N 414.896 4.878 50 40 HJGB CCCc1[nH]nc2c1[C@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 6733521 GHGVHAXBOQYECB-HXUWFJFHSA-N 420.900 4.813 50 40 HJGB COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1 15985349 PXCBOEGTVNOJJC-QQXSKIMKSA-N 411.461 4.683 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 59410711 DUBKOLTZAOCXMR-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1 409155983 JRNCHKLETBUUSN-SSDVNMTOSA-N 412.704 4.906 50 40 HJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C(O)[C@@H](C#N)C12CCCCC2 2311024 DRENTOAFZRELAG-OAHLLOKOSA-N 414.918 4.807 50 40 HJGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 100839883 QWJKKXRZSYSGPW-LGMDPLHJSA-N 405.479 4.972 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408720093 RYHDEGVPIPKIDD-NLRVBDNBSA-N 417.534 4.713 50 40 HJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1 408740922 FBCIQJGDRCBBDU-BKUYFWCQSA-N 413.477 4.735 50 40 HJGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21 408827950 VLEGOFNQAMEMPU-LFIBNONCSA-N 421.884 4.712 50 40 HJGB CC1(C)Cc2c(ccc3ccccc23)C(NNC(=O)c2ccc(Br)cc2)=N1 729257 GOBODBJPUZKVPJ-UHFFFAOYSA-N 422.326 4.618 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1 1453335 NUCSQIVUMADTPS-GHRIWEEISA-N 404.397 4.808 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 35177708 IUXHKIZOTKJARJ-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CC(=O)Nc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 35731481 UWKGEPCRERATQL-QQXSKIMKSA-N 408.461 4.624 50 40 HJGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)O)c1 408541434 CQKYVOMYQQOKDT-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I 409203409 WCRKTPFZEAQHOV-ZROIWOOFSA-N 420.206 4.662 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)OCO2 409366791 YHEWMDJNXTWPHH-ODLFYWEKSA-N 400.390 4.967 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@H]1COc2ccccc2O1 2322175 SGTYNHLMVDQJSB-ZICLHRSZSA-N 417.248 4.544 50 40 HJGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3c(C)cccc3C)o2)cc1Cl 9614539 DERFHEHYFKCUJX-MSXFZWOLSA-N 412.873 4.755 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1 58884434 WJCSYEOHTONOEX-JVWAILMASA-N 424.504 4.645 50 40 HJGB COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 408580142 ALCJOVSOACKKKH-WUXMJOGZSA-N 409.077 4.990 50 40 HJGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CN2CCOCC2)cc1 408727836 SJVGHNDXZCGANG-MTDXEUNCSA-N 423.516 4.589 50 40 HJGB Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)o1 409133592 NDQZXRGWRSLNQE-LDADJPATSA-N 415.449 4.761 50 40 HJGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)c1 409259599 BGMJYKBCBOXNDW-XSFVSMFZSA-N 411.461 4.558 50 40 HJGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)c1nnc2n1CCCCC2 7159045 OVVAMFUAQLYBLN-LDADJPATSA-N 406.921 4.584 50 40 HJGB CCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OCC 13943688 GAFKJTJOCYGLIU-YZSQISJMSA-N 418.493 4.680 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NC1CC1 59087226 IFHDZEHUTMLKPK-MHWRWJLKSA-N 420.310 4.638 50 40 HJGB COc1cccc(/C=N/NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1O 95471422 YPQVUQIELZRVKL-LSHDLFTRSA-N 405.237 4.732 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(C4CCCC4)C(=O)C(C#N)=C3C)o2)cc1 101338721 DWVUYUWXBXKRLT-FYJGNVAPSA-N 414.461 4.684 50 40 HJGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@H](C)CC1(C)C 260569581 RAWSIOZQENEKMQ-HUSFYUSLSA-N 408.502 4.859 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c(OC)c1 408740034 HWQBOOYQYCDJAO-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(OC)c1 408881728 LWZTVMPTSSMBFP-GZTJUZNOSA-N 422.868 4.841 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 408962899 VTVXUTRSGIESNH-WJDWOHSUSA-N 402.406 4.508 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(C)cc1 409245256 PVDMLYFYJJAOBR-YUMHPJSZSA-N 420.484 4.805 50 40 HJGB C=CCc1c(C)nc(C)nc1N/N=C/c1ccc(N(CCCl)CCCl)cc1 4733850 OBHAAYMCMZRXJN-OEAKJJBVSA-N 406.361 4.552 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 6595475 NPSGXFAUJRQENG-AUWJEWJLSA-N 403.232 4.829 50 40 HJGB Cc1ccc2cc(CN(CCc3ccccc3Cl)C(=O)CCl)c(=O)[nH]c2c1C 13998725 AZTZUKNGWHKOML-UHFFFAOYSA-N 417.336 4.608 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3C)c2C)c1 108108269 BNPBEFGTKKKOFN-MYYYXRDXSA-N 418.497 4.735 50 40 HJGB CCCC[Sn]1(CCCC)OO[C@H](c2ccc(OC)cc2)O1 195999458 ZKEFQRDQEWKFIL-VFIYQRISSA-M 401.091 4.715 50 40 HJGB O=C(Cl)c1ccc(OCc2ccc(Cl)cc2)c(I)c1 217710884 ILSDPOOOYFGVDX-UHFFFAOYSA-N 407.034 4.903 50 40 HJGB O=C1OC(=O)c2ccc(-c3ncc(-c4cc5ccccc5oc4=O)o3)c3cccc1c23 670433152 SAENIEUGOADNIY-UHFFFAOYSA-N 409.353 4.579 50 40 HJGB O=[N+]([O-])c1ccc2c(c1)Cc1cc(N(CBr)CBr)ccc1-2 1726889 XXEKTDJWDHLPRS-UHFFFAOYSA-N 412.081 4.677 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2064325 ZKTDVDDANYANNF-NTCAYCPXSA-N 420.450 4.872 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Br)c3)C2)[C@@H]1c1ccccc1 2323007 VRYSDWRFYZMGQX-FOIQADDNSA-N 421.294 4.658 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1cccc2ccccc12 2361141 MYLQALZVZTXVPP-AFUMVMLFSA-N 418.884 4.516 50 40 HJGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C 208215328 JTAWYRICYXUFHH-WJNWYLSZSA-N 413.949 4.900 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N4CCCCC4)c(C)c3)cc2c1 409186848 IPCZSIQTVUFRRD-XYGWBWBKSA-N 405.498 4.894 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c1 409266843 YSFMIVIZQHSIJG-XSFVSMFZSA-N 411.461 4.558 50 40 HJGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1 409370180 MJUSZRSEVHDYDI-LDADJPATSA-N 417.396 4.816 50 40 HJGB COc1cccc2cc(/C=C(\C#N)c3nc4ccc(C)cc4c(=O)[nH]3)c(Cl)nc12 6160995 DJKAEMYWWRPHKN-XNTDXEJSSA-N 402.841 4.506 50 40 HJGB COc1ccc(CC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 208470864 JYGGBMZMYVMAEM-QFEZKATASA-N 411.933 4.673 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCC 409248152 GJHWCFUKQXWBFJ-QJOMJCCJSA-N 418.537 4.868 50 40 HJGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SCCS1 409268814 AWSYLASDCMNXPS-LPYMAVHISA-N 420.987 4.955 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc(Cl)c1OC 830247 IRTFLHDNCSQFJH-FOKLQQMPSA-N 403.265 4.928 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 941999 NCRPDYQVVOETCD-XDJHFCHBSA-N 404.466 4.730 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 4893160 QFSXUVBNSXDHKB-MFKUBSTISA-N 406.869 4.560 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6170178 FWKZFCHJVFIWSP-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC 58927999 ONFAGCPOMAOHQQ-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1Br 100958917 USDHJRXYOWZGKG-GDNBJRDFSA-N 413.300 4.741 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 408743731 UQOSFMLPOZDFAW-PDGQHHTCSA-N 416.437 4.557 50 40 HJGB COc1cc(/C=N/NC(C)=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 4512434 KCSKUPVYWCGHPH-KOEQRZSOSA-N 410.514 4.671 50 40 HJGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)Nc1ccccc1S2 5494604 QZVMRSIXVYIFPC-LEEXQRRLSA-N 417.490 4.575 50 40 HJGB Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2[nH]1 8606332 FENQHHJSVVATIX-SAPNQHFASA-N 419.444 4.736 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCCC 409065016 KFXBKEBSSBLICO-XMHGGMMESA-N 406.482 4.767 50 40 HJGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@H]1c1cccs1 1240383 RLUHMLKJXXQZBM-QGZVFWFLSA-N 419.531 4.612 50 40 HJGB CCOc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2CC)cc1 3180683 AFQJSVUEYGIVJR-PYCFMQQDSA-N 407.543 4.663 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 4357650 ZCGJMGDPHCINRW-BRJLIKDPSA-N 402.372 4.803 50 40 HJGB CC(C)[C@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20133369 BTSGCIBMBYWIQA-VIFPVBQESA-N 410.106 4.556 50 40 HJGB O=[P@](Cc1ccccc1)(c1ccccc1)c1ccccc1I 95611977 UVJKNQJNKVQYJK-JOCHJYFZSA-N 418.214 4.805 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(C)cc1 209280107 BHKNGOUKPLYTFA-STZFKDTASA-N 404.510 4.939 50 40 HJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Cl)cc1 408777980 NLGNYKGCOCAUKM-PTNGSMBKSA-N 420.812 4.981 50 40 HJGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1 408891890 DVWDQCNELIXFQD-SSDVNMTOSA-N 419.337 4.730 50 40 HJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1 409215506 ACMGAESBMLSUSF-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB Cc1sc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 1085488 OLMBTADRQPXANM-KIHMUJGBSA-N 417.328 4.890 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1O 6209711 KOVYOUMCESXVRA-VIZOYTHASA-N 415.287 4.634 50 40 HJGB C#CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 9187231 LOZNQDXNKPMPIG-XNTDXEJSSA-N 422.282 4.800 50 40 HJGB COc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1ccccc1 408719680 JQVLTWGGZZDAAH-MFKUBSTISA-N 420.534 4.658 50 40 HJGB COc1ccc(/C=N/NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 4737426 WMXKTKDLMOPUEM-ARUJPYNKSA-N 402.538 4.992 50 40 HJGB COc1cc(C)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4769743 IYNRCMXOTUJSMY-VBKFSLOCSA-N 403.394 4.718 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c(OC)c1 6044053 KNKFEQDRRHIFDZ-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2c(C)cccn12 16742540 JAJQTUJRKYWRHK-XDJHFCHBSA-N 408.461 4.864 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)cc1C 83311271 RFWBIMMHOPBFHS-NHVVDLMHSA-N 403.526 4.675 50 40 HJGB C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542417 LMDHOCQAXPRDFN-SXGWCWSVSA-N 414.255 4.785 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC 408767896 QJYMJMZKJWXQNZ-CYVLTUHYSA-N 407.514 4.876 50 40 HJGB COc1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1 1801131 MLPPWOCIMOXDHH-CABCVRRESA-N 413.109 4.533 50 40 HJGB COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl 23382638 IKFACOXOCJSUDM-GZTJUZNOSA-N 419.308 4.632 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 33437446 GHSDCOZFBICHEJ-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1[N+](=O)[O-] 408767668 ZPFQVRZWNTWKOC-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 871910 WEUGUDPVSFTVIT-LFIBNONCSA-N 402.406 4.508 50 40 HJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccn(Cc2ccc(Cl)cc2)n1 1091871 QBGIILDRGUVDKN-LSHDLFTRSA-N 407.688 4.656 50 40 HJGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1954113 ARMNXQLQMZKWPT-ZVHZXABRSA-N 424.298 4.804 50 40 HJGB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1 3243991 IHYHOIFIMKRKSO-LFIBNONCSA-N 411.292 4.711 50 40 HJGB O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccc(Br)c1 4672468 VAIIHHSBGOLRPA-DULRMMMRSA-N 408.093 4.601 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)c(C)c1 28217261 HTTHSMMKMNELLD-DHRITJCHSA-N 409.917 4.893 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408744486 YDKNUOAAYLCXDU-BOPFTXTBSA-N 419.868 4.991 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Br)c2O)cc1 408746138 XMSITCOWPFPVMG-GHXNOFRVSA-N 421.678 4.752 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OC(C)C 409190766 WBCNRSVYVLRROW-DHDCSXOGSA-N 421.335 4.601 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 409236419 FYMYMRBJVIGIRU-PWDRSIHYSA-N 419.706 4.895 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCc1ccccc1 3261609 IXBGEPCLDYBVGE-XMHGGMMESA-N 410.502 4.824 50 40 HJGB CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 6179712 ZCKMDOCPWCTANN-WJDWOHSUSA-N 422.282 4.772 50 40 HJGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1ccncc1 12377793 GZRGWUZDXVMVRN-QRQIAZFYSA-N 417.472 4.851 50 40 HJGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20132910 LORNCJFARDIBEI-SECBINFHSA-N 406.143 4.951 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccc(Br)c1 30840545 AILWWRGSSQSVIA-UCQKPKSFSA-N 409.283 4.645 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cc1 31829614 FRVUEPMJVLMZBV-OYKKKHCWSA-N 422.506 4.620 50 40 HJGB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 100958931 FAMLUAVRNYUMGO-YBEGLDIGSA-N 407.455 4.503 50 40 HJGB CCCNC(=O)N(NC(=O)Nc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 3768095 KLOFXAGRPRRNMX-UHFFFAOYSA-N 409.515 4.781 50 40 HJGB CC(/C=N/NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)=C\c1ccccc1 12362152 DJGWOWFHGRCYJC-ZKQKEKEQSA-N 407.477 4.753 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 16283292 IDAXEPRCEPPTRO-PDGQHHTCSA-N 418.428 4.996 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1cccc(C)c1 59334890 IQNVXOQBRIBAHN-HMAPJEAMSA-N 404.510 4.696 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)c1 83311278 CGERCOGYVMLTTD-NHVVDLMHSA-N 403.526 4.675 50 40 HJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 408592578 ZLGHQNUPNDVCOF-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408794876 TYHLATWUNUFGSA-LTGZKZEYSA-N 409.445 4.714 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccn1-c1ccc(Cl)cc1 408848701 SBAQMQZTSZALSQ-MXAYSNPKSA-N 405.807 4.842 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)oc12 409160842 XLUKNQPMPKNFRS-FSJBWODESA-N 419.393 4.682 50 40 HJGB Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 898834 MVXOUIXMXKLQCP-GOSISDBHSA-N 407.901 4.956 50 40 HJGB COc1ccc(Br)cc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1 3039174 GQJXAVVXFXMRJS-BUVRLJJBSA-N 423.310 4.740 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc(Br)c1O 5070412 MGGYCRMZVVNKKS-NTUHNPAUSA-N 411.255 4.743 50 40 HJGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 6596127 PCZIEDDNTIBVKR-WBHRPZRPSA-N 418.453 4.735 50 40 HJGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2[nH]1 6622770 DJEQQUKDAISYBJ-VKAVYKQESA-N 413.506 4.587 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 9358492 VFXHSQVICYJMTM-QGZVFWFLSA-N 424.863 4.876 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 10475917 MCRYBSJOMLLCDZ-YZSQISJMSA-N 402.494 4.666 50 40 HJGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1cccc(C)c1C 4671762 RBMJPZFQISQCKI-ZVHZXABRSA-N 418.921 4.673 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(C)cc1 8812399 QHOFAWUNLCJDEL-CVKSISIWSA-N 406.457 4.876 50 40 HJGB Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 16957031 LLWBQGINGLGTCJ-WGOQTCKBSA-N 410.477 4.728 50 40 HJGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1 408962916 LBBJOSCCSBAHAO-OPEKNORGSA-N 416.355 4.736 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc([N+](=O)[O-])ccc1O 409046352 KFQNPLHURMOTHA-ZVBGSRNCSA-N 420.208 4.631 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)n3nc(C)cc3C)o2)ccc1Cl 409377059 FVPHCIHWJJIXHX-MHWRWJLKSA-N 423.856 4.837 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1cccc(C#N)c1 8812491 ZGLPBKBRLZZWQD-RWPZCVJISA-N 410.452 4.773 50 40 HJGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC1=O 1454015 AKYMLOOYTQBRPL-IBGZPJMESA-N 407.882 4.900 50 40 HJGB C=CCc1ccccc1OCC(=O)N/N=C/c1cc(OC)ccc1OCCCCCC 4187709 BHMASKPMNFPCKD-NLRVBDNBSA-N 424.541 4.912 50 40 HJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(C(=O)O)cc1 34852545 MGDADYRIJAIGTK-XGICHPGQSA-N 423.060 4.680 50 40 HJGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 35316334 WUPUVWHSSSCUOM-OAHLLOKOSA-N 413.264 4.610 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@H](Br)C2=O 100868316 VBZCTPJZVASQHJ-DQYPLSBCSA-N 418.253 4.803 50 40 HJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408890913 IIRFRJLQEXDYBI-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1 409012425 JZJMWKQWHVLUSP-QFEZKATASA-N 409.917 4.839 50 40 HJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 948074 WJRCMTKUYOMSLE-HYARGMPZSA-N 419.502 4.921 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)C(c2ccccc2)c2ccccc2)c1 1791034 RFHAVWDSGDYKBA-CJLVFECKSA-N 411.457 4.894 50 40 HJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccccc1)C2 3657426 BHWDMMMVQINSJF-ZMOGYAJESA-N 420.310 4.733 50 40 HJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CCC(CCCC)CC2)c(OC)c1 4422380 VFYNNPUDPFAUAX-RCCKNPSSSA-N 424.541 4.806 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1Br 33645407 YFPWPXXEJHUFIH-OEAKJJBVSA-N 416.363 4.505 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(OCC)c1 408758023 FSWJSPLNDYEUCF-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F 409369810 YRPXUZDQSXYWLF-HXUWFJFHSA-N 409.461 4.591 50 40 HJGB Cc1c(Cl)ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1C 1926738 FTJQJDZXPMNDGC-UHFFFAOYSA-N 423.321 4.665 50 40 HJGB CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 8386459 MNWOWTSZEOMKIO-XQNSMLJCSA-N 410.474 4.658 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 58678625 QTCAULMFZANWNU-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB CSc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 58915660 KSLRJHDDQRVMLH-VXLYETTFSA-N 409.374 4.555 50 40 HJGB CCc1c(OC)ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c1OC 408719224 AFQUHEYPJYMDDN-LPYMAVHISA-N 406.935 4.552 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OC 408806668 AUWUCIKEXCGNJK-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB C#CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409041495 AHYKUBPBRKRFAI-OVVQPSECSA-N 405.457 4.678 50 40 HJGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 15008891 ZREIJHYVNKQUKA-NBVRZTHBSA-N 424.460 4.653 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C 15227173 QNLOJSXKMWCZME-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB Cn1cc(C(=O)NN[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc21 15501170 OOGNCJYCSVLVBT-DEOSSOPVSA-N 422.488 4.518 50 40 HJGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr 95707791 ABBOXTQECRSSQR-REOHCLBHSA-N 405.880 4.613 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)OC)o2)cc1 252484232 FSEFNIAEHDPOLR-SAPNQHFASA-N 400.434 4.841 50 40 HJGB CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408904568 LNLKZECXTQOTNW-FBHDLOMBSA-N 401.806 4.546 50 40 HJGB N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(O)cc1 4113116 XRLHOLQAIOCPES-ACCUITESSA-N 402.435 4.558 50 40 HJGB Cc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 6522416 IWTXYLUPSHUNFR-UHFFFAOYSA-N 412.518 4.842 50 40 HJGB N#CC1=C2SC[C@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@@H]1c1ccc(Cl)cc1 12275529 XLKBOIGHSWSIFZ-UZLBHIALSA-N 417.317 4.637 50 40 HJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1 59427392 IQENFVKBYGEBJW-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59484028 WKFWJRWVQMLIOM-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB COc1ccc(CC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 208261741 LXMRQPWYXYWYGO-MLGZCZAZSA-N 413.949 4.763 50 40 HJGB O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1ccc(Cl)cc1 408848126 PVLYYGPNLGNGDX-MYYYXRDXSA-N 403.869 4.813 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OC 409321513 GPYLTZDRFNPGGL-QFEZKATASA-N 424.884 4.700 50 40 HJGB CC1(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)SCCS1 6348171 NOVCIGHGVVIELQ-LPYMAVHISA-N 420.987 4.955 50 40 HJGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccccn3)cc2Br)cc1 408913040 JWOFOWVLFXMGJC-SRZZPIQSSA-N 416.300 4.661 50 40 HJGB C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1 2696662 BWJBFJOPHVIWOJ-SILNSSARSA-N 412.493 4.537 50 40 HJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)cc1 3140242 MZTSIJZMIJGMKJ-HCWGUIKXSA-N 415.331 4.901 50 40 HJGB Cc1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 14701798 SLUXDIJZWIEYIF-UHFFFAOYSA-N 422.912 4.621 50 40 HJGB O=C(Cl)c1ccc(OCc2ccccc2Cl)c(I)c1 217710633 JWNMPDNELCNJON-UHFFFAOYSA-N 407.034 4.903 50 40 HJGB CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 408862230 DOZWMBUIHNJJDX-IBUSPFOHSA-N 408.885 4.757 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)cc1 1516374 VCOQANZUMMRDSI-XMHGGMMESA-N 400.434 4.977 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4608082 TZODNFXHDWXQIK-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1O 7738751 GIBTYARORNQSOG-CVKSISIWSA-N 416.506 4.715 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc(Cl)c1Cl 8748197 OLCIWXPATUYMHR-CQSZACIVSA-N 401.274 4.786 50 40 HJGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc2ccccc2c1 59678651 NRUBCTSWYLMRBI-LPYMAVHISA-N 412.287 4.559 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408792035 GUTMEAJHWXTICW-GXDHUFHOSA-N 415.674 4.660 50 40 HJGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 409047639 PBZIETTYIMDGGV-XSFVSMFZSA-N 413.433 4.985 50 40 HJGB Cc1ccccc1OCCCOc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 9434893 VGKNNKAHLIJFOO-XIEYBQDHSA-N 403.482 4.999 50 40 HJGB COc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 96024156 WBGNEWOYFXIZOI-QINSGFPZSA-N 401.447 4.902 50 40 HJGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 408706517 ANMMDXAROOETAG-AFUMVMLFSA-N 420.900 4.789 50 40 HJGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1 409024430 SLWWBOGPECGFJD-ZMFRSBBQSA-N 419.868 4.986 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1)c1ccccc1 409234539 LMKWWPCTHBSPLT-VPMLRQHESA-N 424.092 4.589 50 40 HJGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OCC)cc1OC 2670461 PBGUKWHENCQTID-NBVRZTHBSA-N 422.481 4.596 50 40 HJGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc([N+](=O)[O-])cc1 96662811 SCKXSKDMGAXOBF-BKUYFWCQSA-N 407.433 4.966 50 40 HJGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C 208212586 MHROUEDRDLSKOP-QQAHGDJHSA-N 413.949 4.900 50 40 HJGB N#CSCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Br 226328316 CJIHXRUBOLGSQX-UHFFFAOYSA-N 404.314 4.879 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3cc(C)ccc3nc2Cl)C(C#N)=C(N)O1 676578 HZTVFIDZXWCVRX-GOSISDBHSA-N 411.889 4.620 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(C)c1 20194377 DBIVLCNMZIJPPN-FSJBWODESA-N 411.845 4.818 50 40 HJGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1 35332510 YXCSOBZMEDZIPC-FSJBWODESA-N 416.418 4.705 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)c1 223171735 NUBZKOQOMFZSSB-MOSHPQCFSA-N 415.493 4.965 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 408778635 JEBNMRPKWDNTSZ-MNDPQUGUSA-N 417.896 4.856 50 40 HJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)c2C)c1 408779666 HDEANNGJKKTNPK-LGJNPRDNSA-N 413.525 4.739 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2cccc(Cl)c2)c1C 408968305 VEOUKOPWRRZSJI-QFEZKATASA-N 409.917 4.839 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 408980934 UMMYRQQHDSYTOX-BYEYKRMRSA-N 413.521 4.822 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 1195846 WPSZIGWJDTWYRE-KGENOOAVSA-N 413.477 4.735 50 40 HJGB CC1(CI)COC(Cc2ccccc2)(Cc2ccccc2)OC1 1671125 HTIDARVALQPKID-UHFFFAOYSA-N 422.306 4.656 50 40 HJGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 3169756 AFIZLZSOCXYQFQ-AFUMVMLFSA-N 410.514 4.628 50 40 HJGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)c2ccco2)cc1 5381738 LSWBVQWFSYRVSS-CVKSISIWSA-N 413.433 4.545 50 40 HJGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c1Cl 19809438 ZAEQWYRZQMEXPV-LRNAUUFOSA-N 412.491 4.695 50 40 HJGB CCSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2=C(O)CCCC2=N1 102870581 ALOVIOYRTLWETG-GOSISDBHSA-N 400.500 4.735 50 40 HJGB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914921 HYXUDBBVUZEPTI-SZIHGNOCSA-N 411.380 4.903 50 40 HJGB CCCOc1ccc(/C=C(/C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1 408546422 JFKQWBSWFIMPAN-BOPFTXTBSA-N 422.506 4.612 50 40 HJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 408789857 NZIFAIDGQZLMJJ-PDGQHHTCSA-N 414.421 4.945 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1 408847168 MBAKZPZYJVKDBN-PTNGSMBKSA-N 414.303 4.750 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3OC)c2C)cc1 409186819 IHASHDMCMLZOEK-IWIPYMOSSA-N 406.486 4.657 50 40 HJGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409243609 ZCGSUAYAADACCG-OKSBFYSISA-N 400.434 4.738 50 40 HJGB Cc1cc(C)c2c3c(sc2n1)[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O3 659004 YWWBUYJNNRKBBT-OAHLLOKOSA-N 412.312 4.894 50 40 HJGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 853939 USEZJKRDHSQWPR-WNIQNGNASA-N 417.534 4.960 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OCC 6355652 BESWWCZLDXHYBU-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c1 6573663 YOLWIHYZQDLWKI-ATVHPVEESA-N 402.406 4.589 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 33367037 VOLYZZTXLHPCQR-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c1 408760629 BYKRPFYTMMRUMS-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc(F)c1 408904188 GDQMVAMNSXXDCP-MSXFZWOLSA-N 420.400 4.652 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408962625 INTTXCPJXUSNRO-AUEPDCJTSA-N 400.784 4.530 50 40 HJGB COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1OC 408972715 VJNQAIMISAMICF-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1 409203230 VYRQBNUSPYCRJT-FSJBWODESA-N 413.930 4.696 50 40 HJGB CO[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 716721 KCGZGUALLGYPCG-BHSKHCGUSA-N 408.885 4.757 50 40 HJGB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 5124397 KQIUUWBCHDIDOX-JKCWJDSWSA-N 417.509 4.892 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc([N+](=O)[O-])cc1 5451280 JLFBVPPBQJOACQ-FOKLQQMPSA-N 403.316 4.638 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 5883905 DDKLHNJTUPELKY-GOSISDBHSA-N 406.873 4.737 50 40 HJGB COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)CCl)n2)cc1 8755035 XDBRUZYIGHLOND-UHFFFAOYSA-N 424.913 4.849 50 40 HJGB CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1 20170954 MTQTUNFAGDGSKD-IBGZPJMESA-N 420.962 4.759 50 40 HJGB Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1 59101848 FZUQWFMIAZBHIV-OVVQPSECSA-N 423.472 4.769 50 40 HJGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408776160 UQZUNXYHWBUVQU-CYVLTUHYSA-N 407.514 4.876 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(F)cc1 408780774 KCIBEUVDEBKKON-BKUYFWCQSA-N 422.500 4.963 50 40 HJGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCC3)c2C)cc1 409192923 HEFPBCHTADSQTJ-PGMHBOJBSA-N 404.558 4.906 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C2\CCCc3ccccc32)c(Br)c1 937898 RGYCUZOWQRATNV-FCDQGJHFSA-N 415.331 4.808 50 40 HJGB CCCCCCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 4361306 VKYVQGFBXHHCPF-LFVJCYFKSA-N 410.474 4.658 50 40 HJGB N#CC1=C2SC[C@@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@H]1c1ccc(Cl)cc1 12275531 XLKBOIGHSWSIFZ-OXJNMPFZSA-N 417.317 4.637 50 40 HJGB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 25193916 ORLIUFTXPDOIIM-IBGZPJMESA-N 423.856 4.707 50 40 HJGB COc1ccc(C)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1C 223169291 RSGWSZSCZUTRPP-KQWNVCNZSA-N 413.521 4.677 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)cc1 408795837 NGNQSUPMGRNJQI-DTQAZKPQSA-N 404.447 4.763 50 40 HJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409081311 HBEXUPYWPAJMQH-AUEPDCJTSA-N 417.248 4.675 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1 705863 IPACQYXRULMJML-QGZVFWFLSA-N 415.276 4.775 50 40 HJGB O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccccc2Br)cc1 3085923 IQDPJQGAMJDIFK-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(N2CCCC2)cc1 7384450 ZPZIZDOFUNAXKH-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC 59474982 CYQQPLRCYYLPJX-NVNXTCNLSA-N 415.287 4.629 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)nn2-c2cccc(C)c2)cc1 408723933 AQBUTUBRMBXTIO-WGOQTCKBSA-N 410.477 4.626 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 408806705 BHUXCFHFURTRBT-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccccc1 409375518 LYJWKNBKASFLTR-FYJGNVAPSA-N 401.466 4.725 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(=O)c1cccs1 2632698 IQUZKTAGZPLLDM-VTYXAESKSA-N 424.522 4.578 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1c(Cl)cccc1Cl 8748196 YPLQQFVDPGWADE-CQSZACIVSA-N 401.274 4.786 50 40 HJGB Cc1cc2sc(NC(=O)[C@@H](Br)C(C)C)nc2cc1Br 20133327 KJZFFTPXKAVNGK-NSHDSACASA-N 406.143 4.725 50 40 HJGB Cc1nn(-c2ccccc2)c(O)c1/C=C(\C#N)c1nc2ccc(Br)cc2[nH]1 32099559 NZIDMKVSEXLECD-UKTHLTGXSA-N 420.270 4.589 50 40 HJGB CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408539822 JXSLWMYARNOQRK-HMAPJEAMSA-N 403.866 4.971 50 40 HJGB NC(=O)N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12 408734242 LCIUQZNKSWCBIY-BHGWPJFGSA-N 423.881 4.929 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c2C)cc1 408751589 ADMPTCXPFBSEKB-MYYYXRDXSA-N 421.566 4.908 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccc(Cl)c1 408760178 TVHXLDVHSFNIBR-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@H]1C 408810132 IIWWKENZRMQXLD-FKTQOLNDSA-N 403.320 4.616 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 2270202 IWPNCTYRZBQCKW-MRXNPFEDSA-N 415.276 4.775 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OCC)c2)cc1 16437334 RAWVFWQEXNEVNL-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 26842473 RBQZHANZWGPJPG-CSKARUKUSA-N 420.321 4.578 50 40 HJGB COc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408586410 BSPBSGXJSYIUMJ-JFLMPSFJSA-N 415.468 4.910 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1 408961056 QMUVWWOMZJDGNQ-YZSQISJMSA-N 400.526 4.767 50 40 HJGB O=C(CCC(=O)c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2c1ccc1ccccc12 4545569 VHMIHSKHDBEEIM-CCVNUDIWSA-N 408.461 4.916 50 40 HJGB COc1ccccc1OCCCOc1cccc(/C=N/NC(=O)Nc2ccccc2)c1 4593091 QSPZNTOMKYFWRP-XIEYBQDHSA-N 419.481 4.699 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O 4934791 KOBXQHMEMVKMSO-YVLHZVERSA-N 405.479 4.855 50 40 HJGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223563990 IIAABCSAEANSLY-JXYIUTTOSA-N 407.558 4.889 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408568027 HSEYLSYRDQTACI-WQLSENKSSA-N 404.357 4.943 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1 408847065 OUGFWAFULBJAGG-VULFUBBASA-N 406.457 4.794 50 40 HJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1c[nH]c2ccccc12 7986450 BOYNKBCKRKIYST-JFLMPSFJSA-N 405.461 4.785 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)cc1 33352078 XLNFILWAHOPORS-RGEXLXHISA-N 400.434 4.977 50 40 HJGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)Nc1ccccc1S2 33761644 DASSYGMVZDWZIA-CFRMEGHHSA-N 403.463 4.778 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc(OC)c2)cs1 100600985 OKJPZKUAFHRNII-SSZFMOIBSA-N 405.479 4.972 50 40 HJGB C=C1CC(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1 408732928 BHPPJPHUXQCNQA-BHGWPJFGSA-N 419.308 4.997 50 40 HJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408797665 CNEQTMZJEWNNAP-FOWTUZBSSA-N 403.394 4.718 50 40 HJGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1 409008667 ZORSZMFETKZTSB-HKWRFOASSA-N 411.461 4.558 50 40 HJGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCC(=O)Nc1ccccc1 409389010 AEBTYPOSTSIKOY-UNOMPAQXSA-N 402.425 4.916 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1cccc2ccccc12 2372790 WUQBFASRMHFHTO-JVWAILMASA-N 411.461 4.586 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc2c1CC[C@@H](C)C2 2708553 LRSFUMMADJVWFY-GMCKNXKJSA-N 400.525 4.657 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 8812243 AWMHIUBYKRAJGD-FSJBWODESA-N 414.278 4.760 50 40 HJGB Cc1cccn2c(=O)c(/C=C(\C#N)Nc3cccs3)c(Oc3ccccc3F)nc12 26779424 AFPQMBXPUILXMZ-NTCAYCPXSA-N 418.453 4.972 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408531645 OTHLXKRANQNPGH-VULFUBBASA-N 407.901 4.790 50 40 HJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1nc2ccc(F)cc2[nH]1 408569534 OMGSHLKIBMQLJT-ZROIWOOFSA-N 401.357 4.862 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Br)c1)c1ccccc1 409246180 GBLNKFDZQARPSO-ODYDIQAQSA-N 405.679 4.592 50 40 HJGB O=C1C(Br)=CC(c2ccccc2)(c2ccccc2)C[C@@H]1Br 4945752 ZIYLUGKYMKDFEX-INIZCTEOSA-N 406.117 4.988 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCC2)cc1F 6714789 OGMZZYAXGRMNTI-WGOQTCKBSA-N 405.473 4.742 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 30820851 GLSZBYGDQKXMDX-HAWKZNDISA-N 420.465 4.541 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OCC 408719739 LBNYYWNIOSRECZ-WSDLNYQXSA-N 406.935 4.521 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1 408739715 DVLWNSVWAIXBCF-YBEGLDIGSA-N 407.813 4.732 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)=O 408764561 UPOUURQAJGJBEH-ZSOIEALJSA-N 419.264 4.863 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1 408829081 XALIKZLAANZRSD-HAHDFKILSA-N 413.521 4.889 50 40 HJGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409243608 ZCGSUAYAADACCG-CQUHBBLWSA-N 400.434 4.738 50 40 HJGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2cccc(F)c2)cc1 1029871 HTWLIZSJYJQLAU-OVCQRUIESA-N 415.424 4.509 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 4048122 ZFBWJTVZKVWKLU-MDWZMJQESA-N 404.695 4.714 50 40 HJGB N#C/C(=C\c1ccccc1)c1nn2c(C(F)(F)F)cc(C(F)(F)F)nc2c1C#N 12959347 SNCIAWQRELKVRE-IZZDOVSWSA-N 407.277 4.703 50 40 HJGB COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1OC 16890653 ASPLJAKSBDFWAA-VBKFSLOCSA-N 421.478 4.729 50 40 HJGB N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 20170871 AFNLLOKJDJYLNH-QFIPXVFZSA-N 416.502 4.778 50 40 HJGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1cccc(Br)c1 20248627 SCDSIWJSCSRCSB-RCCKNPSSSA-N 405.361 4.807 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 59473193 RMPUHCGIIHPRTA-MFKUBSTISA-N 404.535 4.958 50 40 HJGB O=C(CCCC[C@H]1CCSS1)N1CCC(O)(c2ccc(Cl)cc2)CC1 79480316 TZCAAJSSNFICFM-KRWDZBQOSA-N 400.009 4.864 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccc(O)cc1 408790781 YOSCUGVELVHNDU-UKTHLTGXSA-N 408.797 4.549 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 408818128 XYQRVKMBSKCXOC-CFRMEGHHSA-N 416.437 4.821 50 40 HJGB COC1(OC)[C@@H]2C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2c1ccccc1 1701986 VHGYJUMOIKJSEC-IHOMSZDFSA-N 412.538 4.833 50 40 HJGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc3ccccc23)cc1 3117240 OJCOCTZYGNZWLX-WPWMEQJKSA-N 423.472 4.865 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1 4698696 MJUVELXPVPZYFW-LGUFXXKBSA-N 415.493 4.681 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 4778833 VARNJCMEEYHIBO-SGMWPGOQSA-N 421.453 4.897 50 40 HJGB Cc1ccc(NC(=O)[C@H](NNC(=O)Cc2cccc3ccccc23)c2ccccc2)cc1 10757159 WKQRPKSOWTUHCT-AREMUKBSSA-N 423.516 4.692 50 40 HJGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(OCc3ccccc3)cc2)cc1 13593330 KQBNDUIHNSMTBQ-XQNSMLJCSA-N 420.490 4.525 50 40 HJGB CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(N)=O)cc1 13943819 KVKXKCHIRQDCAH-LFWZTCNZSA-N 424.328 4.967 50 40 HJGB COc1ccc(CCC(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1OC 15434476 SMEZLTXQEMLUAX-UHFFFAOYSA-N 403.693 4.740 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 408756113 XPPUDCWTUZDJBY-RGEXLXHISA-N 408.461 4.996 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(Br)c1 408993857 XJSMXTBRQBDXPN-UCQKPKSFSA-N 410.315 4.549 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 409263693 MEVAYASWALEJAY-ZHZULCJRSA-N 411.461 4.558 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409344073 JRAHYEYGRXZLIO-XODNFHPESA-N 418.447 4.530 50 40 HJGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1 2310397 JHMIBFZGZWJGER-IBGZPJMESA-N 419.550 4.829 50 40 HJGB CC/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 4578325 UPDVNLOBJANXML-OQKWZONESA-N 406.935 4.521 50 40 HJGB O=C(N/N=C/[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1ccccc1Br 4844441 NNIQYZNRBINYPE-HYUFQJMUSA-N 412.114 4.752 50 40 HJGB COc1cc(/C(C#N)=C/c2c(Cl)ccc(Cl)c2OC)c([N+](=O)[O-])cc1OC 5512158 VCCQGVHTWWKKGZ-UXBLZVDNSA-N 409.225 4.992 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 33758494 VMCATIVNPADFDO-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)c(C#N)c1C 408546316 GLRNNWHEEFUDOY-OQLLNIDSSA-N 417.490 4.613 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408802303 YDPPJKUXSASSJG-NTEUORMPSA-N 415.674 4.660 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)c1 408904698 NFYXEORNCYYSOA-CFRMEGHHSA-N 416.437 4.821 50 40 HJGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)NC1CCCC1 409194982 RRQNYDGQAIERAV-AQTBWJFISA-N 414.465 4.564 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409341098 CNKVCXSGTFTYPP-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 8973086 WLGANQBTZOPCTA-IBGZPJMESA-N 405.523 4.521 50 40 HJGB COc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 17092825 MYTBPBDMZRRGGY-YSMPRRRNSA-N 421.884 4.755 50 40 HJGB N#C/C(=C\c1cccn1-c1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 408555478 XQKQFPZXDGYKMZ-NTCAYCPXSA-N 416.481 4.974 50 40 HJGB O=C(CSCCc1ccccc1)NN=C(Cc1ccccc1)Cc1ccccc1 408727059 OLLPFOJRRNBKME-UHFFFAOYSA-N 402.563 4.920 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1 408891347 PAUBRCRPYUIFOI-XDHOZWIPSA-N 400.438 4.856 50 40 HJGB COc1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1 408969247 KBDWVBISKAJCSB-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB C/C(=N\NC(=O)c1ccc(COc2ccc(C)cc2)cc1)c1ccc([N+](=O)[O-])cc1 1421680 QXQVTPMEPXDHCE-JJIBRWJFSA-N 403.438 4.636 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(C#N)cc1 9201803 LNWMPUKHXRLDAB-VULFUBBASA-N 403.869 4.863 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](Br)C2=O 100868249 VDOMLYFVXWUOML-CSMYWGQOSA-N 418.253 4.803 50 40 HJGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408718797 KFLVYUCNGBMMDP-SAUDRBHISA-N 401.850 4.785 50 40 HJGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 409380132 ITZOQKSHAAHJCX-BRJLIKDPSA-N 421.372 4.773 50 40 HJGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 35316332 WUPUVWHSSSCUOM-HNNXBMFYSA-N 413.264 4.610 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408726226 ANFATOCFOYLNIK-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(F)cc2)c1 408797193 BSIABGGBZYPXRC-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)c1C 408812768 BWNBWMDICNDUOI-QINSGFPZSA-N 404.397 4.726 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OCC)c2)cc1 408871953 IHMXZJYMZPDENZ-OQLLNIDSSA-N 415.287 4.792 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 409194210 PCDASSWRKSBDJA-CIAFOILYSA-N 408.727 4.713 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 4177300 KYLNGWXDLSXZBG-QFIPXVFZSA-N 404.853 4.843 50 40 HJGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1COc2ccccc2O1 13597834 XPYNFPNVVDSRQH-FGKSSUIQSA-N 417.248 4.544 50 40 HJGB Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)c1 408708590 QXXIRFMQZFXDPS-AFUMVMLFSA-N 420.900 4.789 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OC 408790995 ZXDLOVCAXYJNKL-KPKJPENVSA-N 421.678 4.665 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 409071452 ONNYFJXWXRPONM-KGENOOAVSA-N 400.478 4.598 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Br 706095 ASNQDJBULPKYDI-VBKZILBWSA-N 421.294 4.658 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 9057346 IQQNGWIRWXCNER-RVDMUPIBSA-N 418.365 4.617 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 28215899 MBZFJSIPFOOLGO-AFUMVMLFSA-N 421.566 4.795 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1 59335444 LPPIFGVNGYJCJK-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1O 206060742 UQDUGPFFYYEDSQ-KPKJPENVSA-N 421.678 4.752 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 6573656 OJAFZHQEWQJWHY-VBKFSLOCSA-N 403.394 4.799 50 40 HJGB Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 8571372 XUAMOSMFJSKLBD-XSFVSMFZSA-N 413.433 4.985 50 40 HJGB C/C(=N/NC(=O)COc1ccc(Br)c2ccccc12)c1ccc(C)cc1 12362567 HPOXKJWHFOOUBU-HAHDFKILSA-N 411.299 4.830 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccccc1Cl 33591375 OGULDGXULXBXLY-WQRHYEAKSA-N 419.868 4.991 50 40 HJGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33684706 RYKFKPQRLADKIR-HYARGMPZSA-N 408.483 4.564 50 40 HJGB CCCCOC(=O)c1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(Cl)cc32)cc1 48987442 NTTNTDPTLSEOFL-UHFFFAOYSA-N 416.886 4.587 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCC2)cc1C 107607100 BJQLAQVATUJNHI-YZSQISJMSA-N 401.510 4.911 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 408805185 JHZOVMJFJBHWIR-BRFSQIRFSA-N 411.299 4.798 50 40 HJGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCCc1ccccc1 409250153 WHSRFBVNPFGOHQ-CYVLTUHYSA-N 401.422 4.511 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 4491601 DIGNVHWKGXDLSU-NTUHNPAUSA-N 410.264 4.706 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 33794252 CTPWVHCRNJUERB-BUVRLJJBSA-N 405.454 4.845 50 40 HJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409099284 KTUXOGXWUGWGBO-WJDWOHSUSA-N 411.889 4.503 50 40 HJGB Cc1n[nH]c2c1[C@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 679134 MUNNILOEJKYPPB-HSZRJFAPSA-N 408.461 4.669 50 40 HJGB N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc3c(c2)OCO3)cs1 5023025 ONPMTVWOVMRRLR-WQLSENKSSA-N 410.386 4.563 50 40 HJGB O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1OC(F)(F)F 95611636 DTHKCGZFCJGNRQ-HZHRSRAPSA-N 407.175 4.643 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cccc(F)c2)c1 408898886 NHNKRFVPCHETSW-LDADJPATSA-N 418.424 4.665 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@H](Br)C2=O 4185825 NEVYBORRHNCPOB-HBGVWJBISA-N 400.316 4.937 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 5814974 OBUPBBXNQUPVFZ-OVCLIPMQSA-N 415.276 4.868 50 40 HJGB CCc1ccc(NC(=O)CSC2=C(C#N)C3(CCCCC3)[C@H](C#N)C(O)=N2)cc1 8969510 NTPHVKJAWDKJRL-QGZVFWFLSA-N 408.527 4.716 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59225094 MIWYTRPAYISEMR-LDADJPATSA-N 417.396 4.859 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1 408741150 HAFMWKFTQQHOLX-KGENOOAVSA-N 413.477 4.735 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)c1 408745273 LADOYMIYLIYUSX-AQTBWJFISA-N 416.433 4.678 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c(C)c1 409216266 JIVLJRVHXLVQDL-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409385119 GAXVBJXZHGOLJW-OGLMXYFKSA-N 409.489 4.981 50 40 HJGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 1801105 SGGVMKOQHRNHIN-DHRITJCHSA-N 410.514 4.658 50 40 HJGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 16661300 ZRHUVZLGCKLOLK-QINSGFPZSA-N 407.539 4.569 50 40 HJGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 39884701 YRRYDCYQFCECEV-GXDHUFHOSA-N 418.365 4.617 50 40 HJGB COc1ccc2[nH]cc(C3CCN(/C(=C/C#N)c4cccc([N+](=O)[O-])c4)CC3)c2c1 72309129 SPNUHGGSQNXPQO-HCGXMYGOSA-N 402.454 4.829 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1 83319115 WJNOQWIJSXKGLE-XMHGGMMESA-N 420.446 4.735 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(O)c1 409393240 WHMSXFMOMYMGRW-WYMPLXKRSA-N 411.889 4.534 50 40 HJGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@@H]1CC1(c1ccccc1)c1ccccc1 1021124 JOZKKKSLDMLEHK-FOGHPNEFSA-N 418.880 4.525 50 40 HJGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2F)sc2c1CCCC2 1454085 VTXISJWMRDUJAJ-RVDMUPIBSA-N 412.486 4.877 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 5620959 MMSMPUDGSBSHKH-FWOCFWLASA-N 403.507 4.644 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 20764047 ZLPAFYJQEJIOKU-WSDLNYQXSA-N 413.817 4.671 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 58917053 RZTYRWDBQWGJDX-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc(N)c1C#N 254876603 LQUKJDUFHGEEGY-UHFFFAOYSA-N 419.293 4.841 50 40 HJGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(Cl)cc1 408773922 MYLWOQCAKVSXRT-UDWIEESQSA-N 411.752 4.876 50 40 HJGB Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408818070 ZESHOJPJYVXMRE-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4923283 XCLKDGCOEORFFU-IBGZPJMESA-N 407.564 4.936 50 40 HJGB CCCc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccccc1Cl)C(C#N)=C(N)O2 6733520 GHGVHAXBOQYECB-FQEVSTJZSA-N 420.900 4.813 50 40 HJGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)Nc1ccccc1S2 34772733 QZVMRSIXVYIFPC-PUDRWSQFSA-N 417.490 4.575 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 109038692 HGPXMOMOANRRNY-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c(C)c1 408542227 JZBRSGRGWFIZIB-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 408747459 OFQYYZUQRXRWJB-KQWNVCNZSA-N 411.505 4.882 50 40 HJGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cccn1-c1ccccc1 408850223 IQAZXFGWGDLDGW-FOKLQQMPSA-N 422.699 4.967 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccccc2F)c(C)n1-c1sc2c(c1C#N)CCCC2 409002266 ZLZXVKVBHKJVKX-ZMFRSBBQSA-N 420.513 4.809 50 40 HJGB COc1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 1801179 DUNAJVOEXVYUKJ-HUUCEWRRSA-N 413.109 4.533 50 40 HJGB CCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)c1 2090658 HKYFCLIRYIVWQU-WPWMEQJKSA-N 410.477 4.850 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)[C@@H]1COc2ccccc2O1 2322173 SGTYNHLMVDQJSB-TXRNYMQSSA-N 417.248 4.544 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCC 4525081 SRGOPGSJEKMFTF-CPNJWEJPSA-N 406.482 4.767 50 40 HJGB N#C[C@@](Br)(c1nc2ccccc2[nH]1)[C@H](Br)c1ccccc1 5642605 AOFZPODPWSJDJT-ZBFHGGJFSA-N 405.093 4.813 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccco1 6863440 OTJXJAKMFWGWOW-RGVLZGJSSA-N 401.831 4.756 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 101025271 LZPIUNLWNBPIOO-WGWMNZJLSA-N 400.862 4.575 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1Cl 408723226 RLBLPGADIYLGID-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c1C 408968531 WTEPHUJQBDFQBT-JFLMPSFJSA-N 402.542 4.836 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1sc2c(c1C#N)CCCC2 409189425 LADWQNUIAPMZJK-PDGQHHTCSA-N 418.566 4.872 50 40 HJGB N#C/C(=C\c1cn(Cc2ccc(C#N)cc2)c2ccccc12)C(=O)NCc1cccs1 781451 UZMDTMGXZSCQGC-UDWIEESQSA-N 422.513 4.846 50 40 HJGB aggregator CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1 987222 DHNOHCFZEDZILX-KRWDZBQOSA-N 421.298 4.620 50 40 HJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OCC 20198033 GKZHNMNHWYCFQE-BUVRLJJBSA-N 416.905 4.856 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1O 57398181 PADUGBJVSOSLBL-DHDCSXOGSA-N 415.287 4.661 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](/C(C)=N\NC(N)=O)CC[C@H]32)C1 257198380 GFJOPLHDGOHLPB-HAVJRQLXSA-N 415.578 4.541 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccnc1 408776459 OWTJKTHBOFGBBP-YVLHZVERSA-N 421.298 4.797 50 40 HJGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408816773 SIKOVHJLRAGBAI-GXDHUFHOSA-N 415.674 4.660 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 409201031 UNJWGDIUCOAAOA-KGZWWPETSA-N 418.324 4.603 50 40 HJGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OC 7993658 OIZONAHLRHAGTB-UFFVCSGVSA-N 413.326 4.643 50 40 HJGB O=C1/C(=C2\S/C(=N\c3ccc(F)cc3)N=C2O)c2ccccc2N1CCCl 15015952 QMDYFYCBVODOPA-NXVVXOECSA-N 401.850 4.513 50 40 HJGB C/C(=N\NC(=O)c1cccc(COc2ccc3c(c2)CCC3)c1)c1ccc(O)cc1 15931217 VJUSFJJVAWIXQU-YZSQISJMSA-N 400.478 4.614 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1O 59224749 FYYJECWDIGGKKL-OQLLNIDSSA-N 415.287 4.661 50 40 HJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OC 408568217 IJULHGVSMBNFLF-SDQBBNPISA-N 416.250 4.936 50 40 HJGB COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2C1 2223213 JAZQDHDQOMLUGI-KRWDZBQOSA-N 423.563 4.637 50 40 HJGB aggregator CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1ccccc1 5464473 UEGVZGOOYCKYKE-WGOQTCKBSA-N 418.493 4.502 50 40 HJGB O=[N+]([O-])c1ccc(S[C@@H](CCl)CSc2nc(O)c3ccccc3n2)cc1 57505488 JMZMNQZHOQKIBS-ZDUSSCGKSA-N 407.904 4.735 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccncc1 59435258 AOIYFYWCSAIAHA-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](Br)C2=O 100868252 VDOMLYFVXWUOML-DQYPLSBCSA-N 418.253 4.803 50 40 HJGB CCOC(=O)C1=C(C(F)(F)F)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 1070305 MSQUYEPHOXFOBR-KRWDZBQOSA-N 414.383 4.541 50 40 HJGB C#CCn1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21 4676991 JTUIZKBBOUWEIP-WSDLNYQXSA-N 409.287 4.501 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1 10315711 GLYNTAMRQVGGQX-MFKUBSTISA-N 409.917 4.839 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1 408738706 MSZPRLWCLKFSOV-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 409228273 WPQGDVCKESSSHN-YDZHTSKRSA-N 406.313 4.756 50 40 HJGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(OCc2ccccc2)c1 409368649 GHTJCFVUZQVDOC-CJLVFECKSA-N 403.526 4.641 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 6355266 DTFOIGFRZRVCED-FQEVSTJZSA-N 408.523 4.545 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 12653199 VJGLIYQCQCELBZ-RCDSDNGVSA-N 411.380 4.903 50 40 HJGB biogenic C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 102524180 KFLVYUCNGBMMDP-CFNYCBHXSA-N 401.850 4.785 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1 408739062 SITQLURLBFRCLM-YDZHTSKRSA-N 422.510 4.553 50 40 HJGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408802679 GAZRJKAKLTYNSK-SFQUDFHCSA-N 410.857 4.627 50 40 HJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408807407 CTGUMTHEEKLGQM-NTCAYCPXSA-N 402.406 4.508 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1 408842611 BFKUSTYDGGCFIS-OYKKKHCWSA-N 402.406 4.633 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408898059 KAQIJFQRBPUTJG-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)c1 408945081 WPGHNOQJBUHPKZ-JVWAILMASA-N 424.504 4.645 50 40 HJGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)ccc1Br 409001569 WOKOXUBLGHHMDG-OYKKKHCWSA-N 424.342 4.858 50 40 HJGB C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 13964066 ROJRSRCOTICZAR-RSTCHGHDSA-N 403.526 4.849 50 40 HJGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 20131308 JUOYKJMECKLSCW-SJQUQUAPSA-N 419.475 4.836 50 40 HJGB BrCc1ccc2oc(-c3cccc(I)c3)nc2c1 216796410 OOQOQAJQIJCJGX-UHFFFAOYSA-N 414.040 4.994 50 40 HJGB N#C/C(=C/c1ccc(I)o1)c1cccc(Br)c1 408759816 MHHJRMDSBIVXLE-YFHOEESVSA-N 400.013 4.711 50 40 HJGB Cc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 2177559 UFWIITGBXPAPBT-SRZZPIQSSA-N 410.257 4.519 50 40 HJGB CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc12 4209572 BDFAORCVIKFOIS-TURZUDJPSA-N 424.500 4.625 50 40 HJGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 4704995 WEMHRRQEBLAYMJ-ZVHZXABRSA-N 415.405 4.823 50 40 HJGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c2)n1 6189252 QKIWAVDTKDSURZ-FOKLQQMPSA-N 401.297 4.619 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 6351280 HRADTGJAOLNBHE-FYWRMAATSA-N 403.394 4.799 50 40 HJGB COc1cccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1 28296627 GJLRVTHKDUKWRX-MTDXEUNCSA-N 424.504 4.766 50 40 HJGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1 95471473 YPDRXCLXZKMOAO-YVLHZVERSA-N 413.300 4.741 50 40 HJGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21 208208503 VSBPSZMRRVHEIK-WNIQNGNASA-N 400.526 4.963 50 40 HJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 408761182 CSGDNPUDLINQTI-SSDVNMTOSA-N 403.221 4.570 50 40 HJGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(C#N)cc1 409212818 REOREHIKIWECNW-DHRITJCHSA-N 422.941 4.862 50 40 HJGB Cc1cc(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)nc2ccccc12 12609691 OVNQSYZVNCUTIO-UHFFFAOYSA-N 400.507 4.526 50 40 HJGB O=C(COc1cccc(Cl)c1)N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 17093699 QMEMNDBBRAMLIA-GZIVZEMBSA-N 423.687 4.566 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cc1)[C@@H]2Br 100848785 KDJJWYOMSAPXJR-DAXOMENPSA-N 401.142 4.977 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 409247343 MZRVULIOHYJTSN-CCQQXMDGSA-N 414.505 4.610 50 40 HJGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c1C 1003413 AYMRPZLFEASNQK-VULFUBBASA-N 411.509 4.807 50 40 HJGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl 9693309 BUIJXJVAQMCVCE-CQSZACIVSA-N 417.868 4.838 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c2ccccc12 16311713 ZLFLYNMPNFFQBA-XMMPIXPASA-N 422.488 4.869 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1 252496898 PUKRWRCKUBFPSZ-FOWTUZBSSA-N 417.421 4.971 50 40 HJGB COc1ccc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 408582130 MAMSRCDDOKTBDY-WUXMJOGZSA-N 409.077 4.990 50 40 HJGB CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 689308 RRJSWENERNNPPN-LJQANCHMSA-N 400.482 4.504 50 40 HJGB Cc1ccc2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1C 899054 BUDWVKDIMYCCHH-SFHVURJKSA-N 407.901 4.956 50 40 HJGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc(Br)cc2)o1 1453735 KSFUYPYWMMPCHG-FSJBWODESA-N 408.255 4.954 50 40 HJGB Cc1ccc([C@@H](Br)[C@@]2(Br)COc3ccccc3C2=O)cc1 3138099 MYIMIESVURRHAN-WBVHZDCISA-N 410.105 4.840 50 40 HJGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 3174968 XIZJZXDQHCOGIR-KTMXNEEYSA-N 416.102 4.674 50 40 HJGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1c(F)c(F)c(F)c(F)c1F 3275046 CXGZGFHLRPYHFQ-XBXARRHUSA-N 416.733 4.898 50 40 HJGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1 9087523 WLKKQXFKZRZRBW-WGOQTCKBSA-N 410.477 4.728 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c1 26123447 QBKSPGYNMBILNM-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CCn1c(SCC(=O)/C(C#N)=C2/Sc3ccccc3N2C)nc2ccccc21 33471405 RRRXKONUHUPZDX-XSFVSMFZSA-N 406.536 4.695 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 107774225 HXWDGKHQLSAKBM-NWFCWYBLSA-N 415.287 4.878 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 408567781 PSQZUNBLTXYMTE-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB CCCC1=C(C(=O)OCC)[C@H](c2cccc3ccccc23)N2C(=N1)SC(C#N)=C2N 408605208 KYASZTRHUXDNJB-FQEVSTJZSA-N 418.522 4.568 50 40 HJGB N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1 9066215 JPGZYHUPRKKRAJ-SDNWHVSQSA-N 416.418 4.801 50 40 HJGB CC(C)Oc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204182 CRVMBSPKAKXPPA-SRZZPIQSSA-N 409.711 4.583 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20238147 NXIQDZYZFRFAIS-LJQANCHMSA-N 407.564 4.624 50 40 HJGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(C)cc2)n1 408724951 NFLCLMSJIQHRPW-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(C(F)(F)F)c1 622793 DMOFYRVNHAMTJM-OAHLLOKOSA-N 416.790 4.967 50 40 HJGB O=C(c1ccccc1O)[C@H](Br)[C@@H](Br)c1ccc(F)cc1 4277149 OYUFHINMSISLIY-UONOGXRCSA-N 402.057 4.614 50 40 HJGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccco2)o1 6376496 OCWYHBARHFSCLE-SSDVNMTOSA-N 400.818 4.522 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)Nc1ccccc1Cl 9324402 MUFHZFRXGJRIIG-ZMOGYAJESA-N 423.856 4.773 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCc1ccccc1 28355640 HPVBXUAKXNSKAP-NBVRZTHBSA-N 421.294 4.975 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1O 59201278 CXABLKNNLPUURA-OVCLIPMQSA-N 415.287 4.716 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 59921787 PVHKKWIQHIQXLP-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc(Br)cc1 408744820 NHCVCIVUPNJNFM-XFFZJAGNSA-N 406.623 4.556 50 40 HJGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br 408981613 IJYXVLIVXGMRDH-XNTDXEJSSA-N 421.335 4.602 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2)cc1 409070393 GBAJEYNNAVHHST-AQTBWJFISA-N 415.474 4.703 50 40 HJGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1 409372682 ZWCFJCXPJQTBPJ-OAQYLSRUSA-N 421.566 4.925 50 40 HJGB O=C(CCl)Nc1ccc(SSc2ccc(NC(=O)CCl)cc2)cc1 1670427 KSQWUMVUPBMLKB-UHFFFAOYSA-N 401.340 4.841 50 40 HJGB CO[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 5511876 SHPKHRMFUBCDJU-BHSKHCGUSA-N 408.885 4.757 50 40 HJGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1sc2ccccc2c1Cl 6130489 NOWKNKIUCCOHFM-SSDVNMTOSA-N 410.886 4.518 50 40 HJGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 6341927 BAXGJBUQTGEYFT-GXDHUFHOSA-N 403.251 4.923 50 40 HJGB CCc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@@H]2C(=O)OC)cc1 9087362 LQDZWGWJMGCRMI-WOJBJXKFSA-N 406.507 4.760 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)c1 59335519 ONZXESOQMTZZGC-PDGQHHTCSA-N 400.434 4.896 50 40 HJGB CCOc1c(I)cc(/C=C(/C#N)c2ccccc2)cc1OC 409359258 AUYRNNUIPXAVAL-DHDCSXOGSA-N 405.235 4.763 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)sc2c1CCCC2 4808773 SVWDJLJIJDXKAI-SDNWHVSQSA-N 419.506 4.831 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)O)o1 15013760 YMCNIDGRLKHCMB-XNTDXEJSSA-N 415.405 4.506 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1 20132290 IHNPFXFZBQLPFX-ZCFIWIBFSA-N 412.534 4.824 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(C)cc1 40869078 ZQNZJYINLKGRKX-UCQKPKSFSA-N 412.489 4.806 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1[N+](=O)[O-] 58871545 JUWLSJKLMURPIY-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335225 BUAQQIXEQOWZKW-QPEQYQDCSA-N 405.679 4.965 50 40 HJGB C#CCOc1cc(Br)c(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC 108933274 NKOFWIXTOGFREK-DHDCSXOGSA-N 422.282 4.719 50 40 HJGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 409072629 JZCBHRCTKWHGGR-HMMYKYKNSA-N 418.493 4.933 50 40 HJGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409387848 SCKVPWGZMIIYNW-OGLMXYFKSA-N 415.537 4.791 50 40 HJGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc2c(ccc3ccccc32)o1 659719 RFJIYRBBALTPGI-SSDVNMTOSA-N 409.239 4.818 50 40 HJGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1OCc1ccccc1 3175170 BONLZPIKBNFYLT-CIAFOILYSA-N 415.312 4.854 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 33825893 GZWSAYUMQBLYES-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC 211486950 OEXVQOSAECOVBD-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1C 408544145 SKZUEYGYMWAJFJ-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1[N+](=O)[O-] 408747641 QTGPUMVYXAFQCM-MTJSOVHGSA-N 414.465 4.534 50 40 HJGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408805095 DPLUSWMRHUWHJS-FCYBPZHVSA-N 412.873 4.900 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408880316 JGXQGDZWHWFFFH-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB CN(C)c1cccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409240817 QAFAGZNJMVHUDX-YUMHPJSZSA-N 414.484 4.659 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2276582 PSRYOKVZXRPIDO-NRFANRHFSA-N 406.869 4.734 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)cc1C 83311270 RFWBIMMHOPBFHS-RGXRWQALSA-N 403.526 4.675 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1O 408822837 MLTJUNJLYSFPAU-LFYBBSHMSA-N 421.678 4.671 50 40 HJGB C/C(=N\NC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1 4491439 NXTMNKLGQUJEDJ-WYMPLXKRSA-N 400.265 4.626 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc(N)c1C#N 16249607 LQUKJDUFHGEEGY-LIMNOBDPSA-N 419.293 4.841 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408799766 KVHFJCTWVVPFCL-BGARDKSCSA-N 406.555 4.728 50 40 HJGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)cc1 1439507 ZNSITQJDZICYEN-QGOAFFKASA-N 416.408 4.599 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccccc1F 7385307 FBECWOBOGHKUAW-WGOQTCKBSA-N 404.489 4.597 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 70691728 WCCVKAYHSCWCEN-KSXMLDNHSA-N 404.547 4.944 50 40 HJGB biogenic O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)c(Cl)c1 59435287 KTCJYTCPDIMUFF-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253617303 HYXUDBBVUZEPTI-XOFSSYLGSA-N 411.380 4.903 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccccc1Cl 409388798 XDFOYGFKCCOENM-YBFXNURJSA-N 421.884 4.988 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1CC(C)C 3303847 HWRSNDQBUJVTDP-LZYBPNLTSA-N 404.919 4.809 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)cc1 4775461 UJXAQHPWWATEID-FBHDLOMBSA-N 404.209 4.926 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 19805249 KWPXQJDDZOQFIP-JBSURENYSA-N 419.475 4.834 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1C#N 59432883 GSUGVZXMNHGNRF-LPYMAVHISA-N 423.472 5.000 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OCC 59473508 WQQQIBUNAIWWJJ-ZVHZXABRSA-N 412.555 4.650 50 40 HJGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719614 HMJNCWNFPZYHBF-MXJLDLDKSA-N 404.491 4.537 50 40 HJGB CCOc1ccc(/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 409392023 NAXSIHJGYLBMFR-KOEQRZSOSA-N 417.465 4.666 50 40 HJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cccc(Cl)c3)o2)c1 5756930 ULGCZOBSZNWRMQ-YVNNLAQVSA-N 403.221 4.716 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC 107835615 YNCKKZZLJYMETO-AUWJEWJLSA-N 403.232 4.829 50 40 HJGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)N4CCCCC4)cc3)[nH]c2cc1C 408602545 CIOJVKSJTZIKOJ-XSFVSMFZSA-N 414.509 4.635 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)c1C 408842696 BYVUQIOFANYTCA-GDNBJRDFSA-N 414.303 4.805 50 40 HJGB Cc1sc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br 1085536 QRFOVQVQVGPFIN-NGYBGAFCSA-N 422.131 4.655 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OCC 4714672 MHXOXPRDCPMCNC-BDFKGGEMSA-N 400.544 4.646 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 5573881 RWULMNVPSYURLJ-SFQUDFHCSA-N 402.406 4.589 50 40 HJGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1 13058147 IDVOETMXLDQHCI-KGENOOAVSA-N 412.445 4.818 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)c(C)c1 16292985 AFAPYEKNFSOFPP-AQTBWJFISA-N 400.434 4.896 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 58917674 KCMZRUUKWRHREH-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB O=C1/C(=N\NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 59192700 GLWCXKMCMJSGTJ-RFBIWTDZSA-N 422.424 4.773 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)c1 83311277 CGERCOGYVMLTTD-RGXRWQALSA-N 403.526 4.675 50 40 HJGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 105057285 ZVVYUIZFGBYOFK-OEAKJJBVSA-N 413.315 4.523 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1Br 408527203 FKFWUZUAJGMWJY-WSDLNYQXSA-N 413.271 4.547 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1ccccc1F 408840629 DSSGWBNLEBVXTB-WQRHYEAKSA-N 416.408 4.679 50 40 HJGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2299429 VGJKKDJAHWIULI-CIAFOILYSA-N 405.292 4.887 50 40 HJGB Cc1occc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6560645 ZZAHMNRJOPQHLM-UHFFFAOYSA-N 400.887 4.609 50 40 HJGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(Br)cc2s1 20132912 LORNCJFARDIBEI-VIFPVBQESA-N 406.143 4.951 50 40 HJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1C 28217263 KTBFMBPCGSRBGT-DHRITJCHSA-N 409.917 4.893 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1O 59201992 UINNCOQMCSJWRW-OVCLIPMQSA-N 415.287 4.716 50 40 HJGB S=C=Nc1ccccc1OCCOCCOCCOc1ccccc1N=C=S 68562988 VXMJCFRBMWVRID-UHFFFAOYSA-N 416.524 4.646 50 40 HJGB biogenic COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408800027 MXVLYLMKQRKWMK-XMHGGMMESA-N 421.928 4.711 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 409044314 BEIJHRCLZWWPLQ-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCC)cc3Cl)cc2c1 409188858 GXWOIQOZKDVPIJ-FMCGGJTJSA-N 416.861 4.656 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(F)cc2)c1C 409250106 MJDNSHYEMLIOKL-MXAYSNPKSA-N 413.880 4.588 50 40 HJGB Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21 409354072 XQDKSZBJFHXTCZ-CCVNUDIWSA-N 414.484 4.699 50 40 HJGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1cccc2ccccc12 409369354 BKKTXSVCGMZGNA-JVWAILMASA-N 402.542 4.620 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3cccc(C)c3nc2Cl)C(C#N)=C(N)O1 1223577 PKGGQYPCUVXIGC-QGZVFWFLSA-N 411.889 4.620 50 40 HJGB BrCCOC(OCCBr)(c1ccccc1)c1ccccc1 1593531 VEABKJYJVFGZOP-UHFFFAOYSA-N 414.137 4.711 50 40 HJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1 2312178 GWMFXJVNIJOPFE-HXUWFJFHSA-N 419.550 4.829 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(Br)c2)cc1 4788437 GBJRONQJJSUZSP-NTCAYCPXSA-N 422.282 4.794 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(Cl)cc1Cl 5175729 FVFLIFRISOZUDK-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB O=C(N/N=C\c1ccccc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 33350010 PFDGYWQHEPVOON-WKIKZPBSSA-N 409.411 4.990 50 40 HJGB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)/C(C#N)=C1/Nc2ccccc2S1 102389173 REUKVZUSMDHDFR-QQJFDMGQSA-N 410.520 4.851 50 40 HJGB COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408569023 LZOZHSRRRPKZOL-WZUFQYTHSA-N 402.223 4.546 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1cc(Cl)ccc1Cl 408590302 ORNWEPJXKHTXLY-BHGWPJFGSA-N 401.297 4.747 50 40 HJGB C=CCc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc(OC)c1OCC(=O)O 408852682 HPPOAAWBJVBTKP-YVLHZVERSA-N 417.383 4.970 50 40 HJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 409130414 HSTXTHCGPXSPTN-HYARGMPZSA-N 409.467 4.796 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409142545 KSWZKEDQIPSSNS-JOCHJYFZSA-N 422.843 4.982 50 40 HJGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 796166 WLCPNNVAOZIRQH-NTCAYCPXSA-N 421.478 4.590 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1436362 JMSGQZALDQSQSU-FQEVSTJZSA-N 405.523 4.698 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3ccc(Br)cc3)CC[C@@]1(C)[C@H]2Br 4185020 KDJJWYOMSAPXJR-UHOFOFEASA-N 401.142 4.977 50 40 HJGB Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccc2n1Cc1ccccc1Cl 6389801 ZZGBKTHNGPDGLE-VULFUBBASA-N 402.885 4.810 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)[nH]n2)cc1 9011718 BPTQVXVRYIEABV-SSDVNMTOSA-N 403.269 4.546 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cccc(Br)c1 16282491 JUSUNVOLODHIRD-WSDLNYQXSA-N 422.710 4.545 50 40 HJGB CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 19802097 XZPPHDOCPOFQBC-WGOQTCKBSA-N 415.562 4.731 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408995828 NQJFTTSHCDFAKI-YSMPRRRNSA-N 416.550 4.599 50 40 HJGB COc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2cccc(F)c2)cc1 1029865 HTWLIZSJYJQLAU-MLVHTHFLSA-N 415.424 4.509 50 40 HJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 9905703 XVBCEIMHJCHRTM-KEBDBYFISA-N 416.102 4.675 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 9963210 CKRFLZYZHSHYHH-LPYMAVHISA-N 422.484 4.657 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 408794189 HWUBBUBMESKOSQ-RCCKNPSSSA-N 412.445 4.598 50 40 HJGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1906101 AINUICYKLBGKLQ-QGOAFFKASA-N 419.481 4.983 50 40 HJGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 8427127 MEWZHIGTDGAAOY-ZVHZXABRSA-N 423.310 4.620 50 40 HJGB N#CC(C#N)=C1C=CC=CN1/C(=C\c1ccco1)C(=O)c1ccc(Br)cc1 8691595 MTILOECLHXZTCA-NDENLUEZSA-N 418.250 4.953 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccc(F)c(F)c2)c(C)n1CC(C)C 14897476 MESYCWWIHGFJNK-ARFNDINWSA-N 414.452 4.761 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)O 15012469 UFXNXPYSNUBHPZ-SFQUDFHCSA-N 419.868 4.991 50 40 HJGB CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)cc2)cc1 28048224 PAJSNDQCBPKURA-YGOZFLFBSA-N 418.493 4.527 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1O 59297374 MLZPVMGFPWCSNZ-OVCLIPMQSA-N 415.287 4.716 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1 59335460 WBBFMINFJQXAEY-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(Cl)cc1Cl 100089459 JLPAIULHLOEOBP-BRJLIKDPSA-N 422.356 4.574 50 40 HJGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C#N)cc1)C(=O)Nc1cccnc1 409144651 YUICWBMBJNXTRU-VXLYETTFSA-N 414.852 4.731 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1 2205982 ZHWIYQGHKZOPMC-QGZVFWFLSA-N 411.914 4.568 50 40 HJGB CC(C)(C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 4750816 IQBJOUUJGUIUPY-JVWAILMASA-N 411.505 4.603 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 12140011 SHTNESXHPYZIPE-VIZOYTHASA-N 423.450 4.808 50 40 HJGB Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2/C=N/NC(N)=O)c1 23234598 GHQMNXSNCCGJPA-ZMOGYAJESA-N 403.910 4.622 50 40 HJGB N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1c(F)cccc1Cl 38680271 XBFNIHDOSJJLQA-SFHVURJKSA-N 410.788 4.509 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1O 59224507 GCJZQSOSGGHOLY-OVCLIPMQSA-N 415.287 4.716 50 40 HJGB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(/C=N/NC(=O)OC(C)(C)C)cc2)n1 91695255 RHVWPPGLKIISSW-WYMPLXKRSA-N 408.424 4.692 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 408786425 JVUQJQSKFKIALN-IDUWFGFVSA-N 414.292 4.876 50 40 HJGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCCc1ccccc1 409220875 HFQIDAFXKQOZPW-AQTBWJFISA-N 413.315 4.504 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 2748842 CUIHNAHGASTNAY-MFKUBSTISA-N 412.449 4.670 50 40 HJGB CCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NC2CCCC2)cc1OC 4551767 IXSNLDMVZAHFFX-XNTDXEJSSA-N 421.335 4.602 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OC(=O)c1cccs1 9631426 IQUZKTAGZPLLDM-QPYDYZPCSA-N 424.522 4.578 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 109041776 UGWOMJKQOJGISD-QFEZKATASA-N 414.417 4.571 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1 4893905 ZUBQZOCTXPPRBM-ZMOGYAJESA-N 415.405 4.786 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1CC=C 408761409 JXRCNMKDAOCTKP-AQTBWJFISA-N 421.294 4.735 50 40 HJGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1 408762825 MJHKFCYOUSPKGS-RAXLEYEMSA-N 420.275 4.559 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@H](C)CC)c(OC)c3)cc2c1 409188285 YHCYTHHPFGLGRK-CPISYKEBSA-N 410.470 4.781 50 40 HJGB C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Br)s1 1434096 LBWBZSXSALDQGS-ZICWZVMQSA-N 403.301 4.581 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 9201774 QARAAQINRCDCJZ-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc([N+](=O)[O-])cc1 13619108 OCWYTXBPIJJYNC-JLPGSUDCSA-N 400.438 4.633 50 40 HJGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 14151916 GBNOWKJEPGOQKH-GHRIWEEISA-N 404.539 4.890 50 40 HJGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)cc1C 20243827 DJNTYWZADPREMT-SSDVNMTOSA-N 404.352 4.970 50 40 HJGB Cc1c(Br)c(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccccc1 59104873 YEHXMMUJRCRZNV-FSJBWODESA-N 414.278 4.760 50 40 HJGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408603631 SCFOEBLWZQDMIW-UFFVCSGVSA-N 409.711 4.901 50 40 HJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408805096 DPLUSWMRHUWHJS-HBVAFETKSA-N 412.873 4.900 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1 408961308 RHAASXHHEITRIA-CVKSISIWSA-N 412.445 4.799 50 40 HJGB C=CCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 409310593 BDQGTJYBZHXHRC-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB CC[C@H](C(=O)OC)c1ccc([C@H](CCl)CNC(=O)OCc2ccccc2)cc1 2362804936 VWSGZLPYVFBAPN-UXHICEINSA-N 403.906 4.602 50 40 HJGB COc1ccc(OC)c([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 4631540 YNZLOVKLANRPRD-QRFQSNJMSA-N 416.525 4.570 50 40 HJGB COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9013307 PCXNPDWNDGLJRJ-ZWKOTPCHSA-N 412.898 4.851 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59517101 DTKCPDGMYVZNJD-YDZHTSKRSA-N 422.312 4.651 50 40 HJGB O=C(N/N=C/c1cc2ccccc2cc1O)c1cc(-c2ccc3ccccc3c2)n[nH]1 70503649 WZWAIIMGBCGYCO-CVKSISIWSA-N 406.445 4.853 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408808667 JXVOFAXVIXYUMN-CAPFRKAQSA-N 424.456 4.574 50 40 HJGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c3ccccc32)cc1 408968535 WVWNDXARGZIMEA-CCVNUDIWSA-N 410.452 4.773 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 409363563 MINOXUKEOJFIBG-BUVRLJJBSA-N 400.507 4.602 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cncc(Br)c3)o2)cc1Cl 802295 SBRLPOQLJGYUEN-LSHDLFTRSA-N 418.678 4.830 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 3302930 ZUOYXYCTFKJOFR-GZTJUZNOSA-N 418.305 4.826 50 40 HJGB CCOC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 6349904 ILPRZBHMWSRZNR-PCLIKHOPSA-N 404.466 4.925 50 40 HJGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2C1 21274413 NTWBFAOALRIIHD-KWSQSQSDSA-N 402.388 4.722 50 40 HJGB Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)nc2ccccc21 35318127 GXEFDLRPABGGRY-RGEXLXHISA-N 402.461 4.885 50 40 HJGB N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1c(F)cccc1Cl 38680108 KAEQAOGDGLMGTL-HXUWFJFHSA-N 420.827 4.916 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 118917456 AUKSBJWTRCVBGS-ZHANLATCSA-N 409.574 4.571 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1 408726953 WIZAZYZAQMUZGU-UYRXBGFRSA-N 400.434 4.525 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(OCC)ccc2o1 409184257 JUYNKSUPIOIIAU-QQXSKIMKSA-N 412.445 4.761 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 409199199 HMBJNDVBLNUKBC-QVGKIPNLSA-N 403.869 4.676 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@@H](O)c1ccccc1 409255746 IPGIREBFGCTQDO-XHEHIBSSSA-N 417.896 4.527 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4505202 KCEJBDYIHJNRJB-VGUHLAFMSA-N 409.486 4.545 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 4923266 BPUPYESOOCJFSB-SFHVURJKSA-N 407.564 4.936 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCc1ccccc1 6451790 IXBGEPCLDYBVGE-RGEXLXHISA-N 410.502 4.824 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C\c1ccc(OCc2ccccc2)cc1 33329968 PLQNKJARVFZMDI-OYKKKHCWSA-N 417.490 4.649 50 40 HJGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)cc(C)c1Br 111902938 MKSOTYAWBNAVJR-LICLKQGHSA-N 412.331 4.659 50 40 HJGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)COc3ccccc3Cl)cc21 208458679 QRPCFMBWIRZGKY-MXAYSNPKSA-N 411.933 4.809 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408884401 WZUNUKKXNBPFRN-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccccc1F 5491345 QQADEIRZXRTTQW-OAHLLOKOSA-N 401.228 4.741 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC 8680936 AGUPBTBLTOQLMX-MDWZMJQESA-N 420.437 4.573 50 40 HJGB Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)(c1ccccc1)C(C#N)=C(N)O2 16266255 AHCINJOTHSYDDE-UHFFFAOYSA-N 404.473 4.601 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OC 33665109 MWJDNBTZRSKVKY-JYRVWZFOSA-N 423.225 4.902 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCC 408868232 ONLMLVBDUCBOOS-ADNKZENHSA-N 423.351 4.523 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccccc1F 408938373 QFKTXIPDFWEHFM-PDGQHHTCSA-N 417.396 4.859 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OC 409325384 YIVGOQNXCCBWHU-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC/C=C/Cl)cc2)c1 2067138 VOHRCQMUELLVIC-MVIGLFDTSA-N 400.906 4.779 50 40 HJGB C/C(=N\NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc(Br)cc1 6999230 GPBSAHMUBFEMIK-FVQJWRHTSA-N 411.299 4.910 50 40 HJGB COc1ccc(/C=N/NC(=O)NC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100490112 MOVNTYYLLQTUBL-LSHJOTCSSA-N 417.553 4.927 50 40 HJGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccc(Br)cc1 408744503 LRICEVYLXLJQFS-CLFYSBASSA-N 412.106 4.819 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCC 408868234 ONLMLVBDUCBOOS-LFEXZJHJSA-N 423.351 4.523 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccc(Cl)c(Cl)c1 409004686 BGFFBNPPYFFSBY-BHGWPJFGSA-N 401.297 4.747 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 409016881 KZLNGROLVBKIIQ-MOSHPQCFSA-N 406.445 4.565 50 40 HJGB COc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCCc3ccccc3)c2C)c1 409221036 JRVSEJLNVWZGPH-XQNSMLJCSA-N 413.521 4.759 50 40 HJGB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)CCCCl)cc3)oc2cc1C 4703821 PBTRECRBBPAGOU-UHFFFAOYSA-N 401.919 4.944 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 5659758 JCGMHKIAPHYZLM-BKUYFWCQSA-N 413.477 4.955 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 7156763 ASFJPLGBQWRUJW-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB N#CC(=C\c1cccs1)/C(O)=N/c1nc2c(s1)CN(Cc1ccccc1)CC2 19902681 AEUFDOBOKREZGF-LFIBNONCSA-N 406.536 4.958 50 40 HJGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc2ccccc2c1 100923008 NDRPUCSHAUVZCE-MZJWZYIUSA-N 413.399 4.993 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C 208513028 NXQUSCIEKKWWAC-ZVHZXABRSA-N 406.486 4.689 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408886853 MQOUNLYIEJQBQC-SSDVNMTOSA-N 411.870 4.984 50 40 HJGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(C)nc2c1 408984602 IJQQTLIYFWLFRT-DHRITJCHSA-N 419.916 4.776 50 40 HJGB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCCl)cc1OC 5107079 SLSZNWCNGDUWFD-UHFFFAOYSA-N 416.861 4.660 50 40 HJGB CN(C)c1ccc(/C(=N/NC(=O)c2cccc(Br)c2)c2ccccc2)cc1 6135749 VCLFPUYSBZAPKW-DARPEHSRSA-N 422.326 4.698 50 40 HJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(C(=O)O)cc1 6321795 IODVFAKFRMLJSB-UYRXBGFRSA-N 416.408 4.606 50 40 HJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 7210439 JUOXXQDPISRQOI-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 9289424 LEGHFVMCATUPKI-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl 34895914 OKEJJXGUBOTQNI-GJYPPUQNSA-N 418.806 4.528 50 40 HJGB C=CCSc1oc(C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949554 WAEPTJKMXROZLD-UHFFFAOYSA-N 416.506 4.881 50 40 HJGB CO[C@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 408720098 RZUMFDXTEZYTEE-IBUSPFOHSA-N 408.885 4.757 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C 408743080 DMFYQXXGBPCNEQ-CPNJWEJPSA-N 400.438 4.856 50 40 HJGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 408841326 FJQZYQWXPFMAFN-NZTOXLHLSA-N 403.869 4.756 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408995251 LMMGWVFRQZPQPN-QFEZKATASA-N 402.523 4.670 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 409255192 ZJLYAQZLVIJINV-MFKUBSTISA-N 404.466 4.635 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)cc1 1172752 XBGCJIMZJQBKMO-HZHRSRAPSA-N 412.489 4.806 50 40 HJGB N#CC1=C2SC[C@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@@H]1c1cccc(Cl)c1 12276155 FVOPLCVDGOADKO-UZLBHIALSA-N 417.317 4.637 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccc(F)cc1 16137056 JIAZGIYUAXXMRN-KIBLKLHPSA-N 415.774 4.632 50 40 HJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc2ccccc2c1 408883912 VEZSANFDLUGIBY-OEAKJJBVSA-N 409.283 4.931 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1 409190357 XMYHMQPIEHMZKH-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3649996 DCVGANSDLNPXGO-BJJNNOASSA-N 406.950 4.627 50 40 HJGB biogenic Cc1cc(C)nc(SCc2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)n1 4139647 CAPCGLKCXOTZFV-LICLKQGHSA-N 407.568 4.972 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1 6186291 OCLWDFKDVIOLMS-WSDLNYQXSA-N 413.886 4.807 50 40 HJGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)/C=C/c2ccccc2)c1 17093087 SWQWAFZFPNMTSD-SQTAHUNXSA-N 422.488 4.974 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)cc1 20765023 WKMARCZOVGKXBS-LQKURTRISA-N 422.488 4.724 50 40 HJGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208464064 FBMZCYJDOXAYDO-FSJBWODESA-N 412.877 4.644 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C 408586482 CFMAXQSDUGPGQW-BHGWPJFGSA-N 409.873 4.549 50 40 HJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(OC)c1 408783645 PNOSYMJOMOVUPX-UYRXBGFRSA-N 407.514 4.874 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c(OC)c1 408853013 YASFLVRWSCGLNK-DJKKODMXSA-N 422.525 4.880 50 40 HJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 3314903 RKKXVYYHFACTAF-KOEQRZSOSA-N 418.518 4.847 50 40 HJGB Cc1cc(Br)c2nc(NC(=O)[C@H](Br)C(C)C)sc2c1 20133312 URPNQRWZGNYPOS-SNVBAGLBSA-N 406.143 4.725 50 40 HJGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)COc3ccc(Cl)cc3)cc21 208455662 TZFUUOCNMSXCPY-DHRITJCHSA-N 411.933 4.809 50 40 HJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1 408544487 WLLDFLQWZKVQNV-STZFKDTASA-N 412.445 4.775 50 40 HJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(F)cc1 408782517 JNORMYJDHVVXHV-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccccc2F)c2ccccc12 409228780 FBEAERATXDUBIO-VYYCAZPPSA-N 403.432 4.661 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc(C(=O)O)c1 408542453 JNEVPGKYCYQZBV-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cccc2ccccc12 408692267 IVNRGOVTSMIYFM-RWPZCVJISA-N 414.484 4.949 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408745708 AAIBRDSBOQVFKN-PTNGSMBKSA-N 415.287 4.792 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(F)c1 408794172 IAQJXZRCSVEAJW-WOJGMQOQSA-N 418.424 4.665 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl 408796492 OYIOYTIOTUIMPP-SFQUDFHCSA-N 410.857 4.627 50 40 HJGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2o1 409067635 QELSASNUJUOHLZ-SAPNQHFASA-N 402.431 4.660 50 40 HJGB CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Cl 409314591 LOQHEGRUSBQKFQ-JJFYIABZSA-N 411.285 4.563 50 40 HJGB CC[C@H](C)c1ccc(OCCOc2ccccc2/C=N/NC(=O)c2ccncc2)cc1 4499468 QGNANGDHZVXSHW-WRGIWNTCSA-N 417.509 4.817 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(Br)cc1 20248332 INMTUGLIVLORCQ-UDWIEESQSA-N 411.752 4.876 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1O 59202006 SHENKLADUQFXQZ-OVCLIPMQSA-N 415.287 4.716 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C 223167821 WKAHAPRMRWZPSO-BKUYFWCQSA-N 413.477 4.955 50 40 HJGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1cccc(Br)c1 408766073 ZCFHBDUJKMAYQB-GHXNOFRVSA-N 406.077 4.757 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)cc2OC)cc1 408796227 ONCOLEYQLAXAEY-OQLLNIDSSA-N 415.287 4.574 50 40 HJGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1O 842721 NEFIPXIZRZHQJX-GOSISDBHSA-N 423.266 4.535 50 40 HJGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc2c1CCCC2 1454091 LWPPDZGWOTUBLB-JLHYYAGUSA-N 400.525 4.799 50 40 HJGB Cc1ccc(C)c(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c1C 12843998 WXUQDRZZKSTVDK-XHDZCQBMSA-N 401.304 4.529 50 40 HJGB Cc1n[nH]c2c1[C@H](c1cn(Cc3ccccc3Cl)c3ccccc13)C(C#N)=C(N)O2 17090434 ILNSWDDODVDARK-NRFANRHFSA-N 415.884 4.593 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59678531 SFQDASPZQHWLOK-WYMPLXKRSA-N 409.873 4.518 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 107805007 ZOJWVKPOTSZMJN-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccn1 408722553 KJLHYYUXEYAKSM-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1[N+](=O)[O-] 409071813 QAAKFOISGCTYTP-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409366853 ZMUUAGRGJYKQNM-MZJWZYIUSA-N 416.912 4.905 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Br 706092 ASNQDJBULPKYDI-VLIAUNLRSA-N 421.294 4.658 50 40 HJGB O=S(=O)(Cc1cccc(-c2noc(C(Cl)Cl)n2)c1)c1ccc(Cl)cc1 2157210 QWZADEDHRSUKPH-UHFFFAOYSA-N 417.701 4.840 50 40 HJGB C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(F)(F)F)c1 4398117 CJSRUEURFSLCOK-OPVMPGTRSA-N 418.202 4.648 50 40 HJGB Cc1cccc(C)c1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 4672929 YAZHSCLXXLDCME-RCCKNPSSSA-N 416.477 4.578 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 33745018 YHJLKMGRTOOVRV-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2F)cc1 408815182 UQTZEOILHPHYGM-STZFKDTASA-N 416.452 4.637 50 40 HJGB CO[C@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 4401830 WTQXFJDRYHIRLE-IBUSPFOHSA-N 408.885 4.757 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 4812739 NHVPWGCVMMKXQJ-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OC(C)=O 9075372 YHLBDCXGWIFZIR-PXNMLYILSA-N 421.434 4.716 50 40 HJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(O)c1 16678421 JXBGEPDTBPQOAX-GDNBJRDFSA-N 414.303 4.547 50 40 HJGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1 33727849 AKOUVQJQSKLDEI-SILNSSARSA-N 406.482 4.978 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 36040365 RCKWFNJQZHICRV-ZEPGLHQBSA-N 407.558 4.790 50 40 HJGB C=CCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 59515945 KTHDOJKLCBCJNU-ITYLOYPMSA-N 400.478 4.542 50 40 HJGB CC1=C[C@H](C)[C@H]([C@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 97949479 JAPABBMFYHDZMU-MRGHISEYSA-N 423.537 4.897 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1 409245520 VDPYBCNGRYBMII-QJOMJCCJSA-N 413.521 4.759 50 40 HJGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(I)c1OC 1078659 VSDFPHVXZFAYRT-NTUHNPAUSA-N 409.198 4.512 50 40 HJGB O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)CC12CC3CC(CC(C3)C1)C2 7141180 LVVQFRMXZCVOKI-UHFFFAOYSA-N 416.521 4.882 50 40 HJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12 9090698 DSUOJNRMWBOZBL-JFLMPSFJSA-N 405.461 4.850 50 40 HJGB CCCCCCCCC(=O)N1CCC[C@H](C(=O)N/N=C2\C=C(O)CC(C)(C)C2)C1 102034677 CSJITJQIPAVLND-SMKFHGBISA-N 405.583 4.710 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 408745441 SHBOUFUSSUEGTA-UVTDQMKNSA-N 418.365 4.617 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 408923384 IDQBKOHSZFYWKO-LDADJPATSA-N 416.437 4.557 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C(F)(F)F)c1 5756904 OFIFCUOLWQVAPD-KSEXSDGBSA-N 403.316 4.638 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1O 33423596 GCMAXUCNTYDSIK-XFXZXTDPSA-N 409.785 4.759 50 40 HJGB CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1cccs1 44790531 SBCMGKDYBBEQHP-XNTDXEJSSA-N 419.344 4.913 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1cccc(F)c1 408778809 LMEGNQYOLAHYIS-JAIQZWGSSA-N 408.473 4.573 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(Cl)cc1 408786832 WJIZZFYGFSXFGG-UDWIEESQSA-N 411.752 4.876 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1 408813159 OLPVTDROJYTKCD-MOSHPQCFSA-N 419.912 4.980 50 40 HJGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 408873462 UJITZKPTMCFKAT-RMORIDSASA-N 413.264 4.973 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408882172 NTOFQYZCCDDEKW-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(O)c1 408899094 YZXGBJSKXVHBBG-CPNJWEJPSA-N 400.434 4.525 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1)c1ccccc1 409234537 LMKWWPCTHBSPLT-BZPKPHBRSA-N 424.092 4.589 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2O)ccc1OCc1ccccc1 409318199 UGWYVDPWRMKORU-QFEZKATASA-N 424.884 4.787 50 40 HJGB N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1ccccc1C(=O)O 4690147 PESQQDGJZMRNAI-LDADJPATSA-N 416.408 4.649 50 40 HJGB C=CCSC1=C(C#N)[C@H](c2cccnc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9136576 GYMCHSZTZYFPMZ-FQEVSTJZSA-N 422.941 4.989 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 408781406 SCMPWRMBLDLGHR-DICXZTSXSA-N 415.468 4.916 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c3ccccc23)cc1 408789706 RLBHXLDSKLSBCD-NBVRZTHBSA-N 400.434 4.571 50 40 HJGB COc1ccc(OC)c(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 408970059 ZMCSMNCEBNVOIC-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 409138025 YWLNLEUYWIXFPR-JOCHJYFZSA-N 422.843 4.982 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccccc1 857439 JCOSHRZYANNTFF-QFIPXVFZSA-N 400.478 4.716 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1OC 1241011 YHELFWTVCFVVIU-GXDHUFHOSA-N 407.451 4.533 50 40 HJGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 1768842 ATZNRQSDUJIHOX-VTGBELTLSA-N 419.934 4.859 50 40 HJGB CSc1ccc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1 2630525 BXMHJBSHRBVSTB-YDZHTSKRSA-N 422.579 4.872 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1 4679706 LVBORVNDNASKKS-OQLLNIDSSA-N 404.235 4.637 50 40 HJGB O=C(CSCc1ccccc1Br)N/N=C/c1c(F)cccc1Cl 58915666 TZRVTTFAHJCUFC-DNTJNYDQSA-N 415.715 4.625 50 40 HJGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F 408707607 KWYWXYJDGJVYJW-DHRITJCHSA-N 424.863 4.620 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1OCC 409137357 WBYLSMGHOWKAHL-HAFIMRKLSA-N 400.544 4.813 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OC 6355562 IDZNGRALEJRHME-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB COc1ccc(/C=N/NC(=O)CCn2nc(-c3ccccc3)cc2-c2ccccc2)cc1 28297153 XOMRMSVPUZWNHD-ZXVVBBHZSA-N 424.504 4.766 50 40 HJGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1COc1cccc(Cl)c1Cl 102301649 KSJPJIZEXGQXPK-KSEXSDGBSA-N 419.264 4.938 50 40 HJGB COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 658940 RIXOULKBINGGHG-QHCPKHFHSA-N 408.461 4.561 50 40 HJGB COc1ccc([C@H]2[C@H]3C[C@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 34704636 HIMCHXQWQSFCCM-UCFCWBNQSA-N 406.489 4.683 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 408804178 CVWTXMVQPVSWLA-RVDMUPIBSA-N 415.287 4.792 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)cc1 409251479 QPCQZCKBTMHSCV-WGOQTCKBSA-N 418.493 4.724 50 40 HJGB C[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@](=O)C(C)(C)C 1857795098 LXWTWAWYYSDHRN-AFJIDDCJSA-N 423.562 4.900 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1F 5739773 PRZHEYARWZOMAB-VULFUBBASA-N 401.441 4.856 50 40 HJGB N#C/C(=C\c1c(Cl)nc2ccccn12)S(=O)(=O)c1cc(Cl)ccc1Cl 24099849 BBAJISJFYKHMRX-DHZHZOJOSA-N 412.685 4.633 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 1319637 LHWZGTXXBAZGBF-OFJBCHTGSA-N 419.319 4.500 50 40 HJGB CCCc1n[nH]c2c1[C@H](c1cc(Cl)ccc1OCc1ccccc1)C(C#N)=C(N)O2 9087929 GVAIDDYZKJADAM-HXUWFJFHSA-N 420.900 4.813 50 40 HJGB C[C@@]12CC3CC(C(=O)N/N=C/c4cc(Br)ccc4O)(C1)C[C@](C)(C3)C2 12436921 WYNUMOOXXOWVFX-OWCAQDJFSA-N 405.336 4.601 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1Cl 16194237 LVZMFLPYRBIPSJ-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB COc1cccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1OC(C)C 38589551 PZRILMGLNZNRNQ-QQXSKIMKSA-N 418.493 4.679 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OC(C)C 408759534 GPSLVCDVAXWSJD-DHDCSXOGSA-N 415.287 4.791 50 40 HJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC(C)C)c(OC)c2)c(C)c1 408909153 GOSPNVWRPDHJCI-MFKUBSTISA-N 412.530 4.520 50 40 HJGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3)c2)cc1 409225851 RFWJZUPIPCWEFX-ZHZULCJRSA-N 411.461 4.558 50 40 HJGB CCOC(=O)c1sc(N/C=C(\C#N)c2nc3cc(Cl)ccc3o2)c(C#N)c1C 3108993 ZTDGRAWCQIUGJQ-PKNBQFBNSA-N 412.858 4.876 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 111506583 FTTUNAJBWXIJBV-BKUYFWCQSA-N 413.477 4.955 50 40 HJGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)c([N+](=O)[O-])c1 252508277 XJBRGKRDIUJIDJ-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 408805186 JHZOVMJFJBHWIR-GYZOOYGHSA-N 411.299 4.798 50 40 HJGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])sc2c1Cl 408969523 PGYHXYHZMYVVKX-ZBKNUEDVSA-N 424.265 4.889 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc1Cl 409201712 XKDRAEKEFXCOJV-WMPMWDHYSA-N 404.901 4.813 50 40 HJGB CC[C@@H](C(=O)OC)c1ccc([C@@H](CCl)CNC(=O)OCc2ccccc2)cc1 2362804937 VWSGZLPYVFBAPN-VQTJNVASSA-N 403.906 4.602 50 40 HJGB O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2081131 QABYIHQXPOPOBO-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB Cc1c(/C=N/NC(=O)NC2CCCCC2)c2ccccn2c1C(=O)c1ccc(F)cc1 3223331 GEVOWANUULNFRV-CVKSISIWSA-N 420.488 4.584 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1O 6844706 CHTZMYXWQFYGPL-GHXNOFRVSA-N 409.198 4.599 50 40 HJGB CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3)[nH]n2)cc1 9110678 UWBMBHUFXGAOQW-FSJBWODESA-N 417.296 4.936 50 40 HJGB C[C@H]1S/C(=N/NC(=O)c2ccc(Cl)cc2)N(c2cccc3ccccc23)C1=O 12708488 SIZSBFNGXSLUNA-XDBAVXTQSA-N 409.898 4.663 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59281388 YMCPKHDNQIRZDN-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB COc1cccc2cc(/C=C(\C#N)c3nc4sc5c(c4c(=O)[nH]3)CCCC5)oc12 96121188 QGRFPTFLUHVESO-JLHYYAGUSA-N 403.463 4.682 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 100739024 GHEIGFYMIYKKMS-MFOYZWKCSA-N 409.405 4.863 50 40 HJGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C#N)CCCC2 408553334 OAQXHWBZUNDICO-TWPHAGSYSA-N 404.451 4.509 50 40 HJGB Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 408567924 QMOSTRCPHGOQQQ-QFEZKATASA-N 412.449 4.670 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccccc1Cl 408729267 YUWIMWWVVDJZTN-ZMOGYAJESA-N 412.873 4.983 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21 409245814 ZIYXTRULPKHTJQ-ODLFYWEKSA-N 411.509 4.694 50 40 HJGB FC(F)(F)C(F)(F)[C@@](F)([C@@H](Br)CBr)C(F)(F)F 1565657672 VLFYBSVEZRHACY-HRFVKAFMSA-N 405.880 4.613 50 40 HJGB C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(Br)s1 13108187 WBLUMGUKLDDTPS-CIAFOILYSA-N 402.317 4.616 50 40 HJGB CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)cc1 15934376 JCVHCKVJSPPUFY-OGLMXYFKSA-N 410.477 4.850 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 83260203 VBERTVPIDOONNF-QFEZKATASA-N 424.884 4.700 50 40 HJGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 3081491 JKCAOQLDPVWNEJ-MFKUBSTISA-N 407.901 4.749 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)C(C#N)=C(N)O2 6300195 DNNHESPZSFFVFY-MRXNPFEDSA-N 420.778 4.869 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1[N+](=O)[O-] 28217560 XAQOEEMWVUECDK-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408724666 GSHAOHAMOIXAHI-HPYNZZJGSA-N 401.850 4.785 50 40 HJGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408843448 FRRXKEUURSOVLB-FMCGGJTJSA-N 410.861 4.601 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(Cl)c1Cl 408926673 ZATGZQFMGKTRIO-UFWORHAWSA-N 402.075 4.528 50 40 HJGB C=CC[C@@H]1S/C(=C(\C#N)C(=O)Nc2cccc(C)c2C)N(c2ccccc2)C1=O 2218039 SRHYUZKBNAUCTK-KNOQIOAQSA-N 403.507 4.702 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C 8812274 GYGPBIQVGAJUKF-VULFUBBASA-N 421.472 4.562 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccccc1 105423398 FOJJICUQYTWXSH-DQBXUONTSA-N 406.526 4.941 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)cc1 408761471 DWKOTTXLHWHSPM-QFEZKATASA-N 409.917 4.839 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1O 408762655 FOJBEJPGSNAQJZ-SDQBBNPISA-N 421.678 4.752 50 40 HJGB O=C(N/N=C/c1ccccc1OC(F)F)c1ccccc1OCc1ccc(F)cc1 3289199 NDSZRPRTFDHSPD-LGJNPRDNSA-N 414.383 4.770 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@H]1C[C@H]1c1ccccc1 4587775 GDFIZMWCVZDSQM-VDZTYEQDSA-N 411.461 4.932 50 40 HJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(Br)c1 13893758 KAYZHQNIUTZDFR-KEBDBYFISA-N 416.102 4.675 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 33382010 CEWKFKGJZCCENL-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB O=C(N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 33400834 QKKUMWPJMCSYKD-UWVJOHFNSA-N 422.622 4.521 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 33471237 VBWQRKHAJDYBPF-ZSOIEALJSA-N 403.232 4.829 50 40 HJGB COc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccc2ccccc12 38194751 DQQMPVZBYFFDLJ-MYYYXRDXSA-N 420.465 4.926 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OCC 59473324 SNGVQDXGNDBFTC-ZVHZXABRSA-N 414.571 4.874 50 40 HJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 408883131 ROUCJNSAIVCVFB-HZHRSRAPSA-N 424.298 4.569 50 40 HJGB O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1ccc2ccccc2c1 408886315 JXCYLJZOGWZJBF-JVWAILMASA-N 412.420 4.962 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 409042639 NWDMOWFWDPWVIX-MOSHPQCFSA-N 412.445 4.818 50 40 HJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 409219065 MUYOBADIWNOEHV-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)n1 409243914 YXSLZGFDSPXEDF-LSHDLFTRSA-N 414.918 4.558 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 409364468 PSEHJBNUVKXJAN-OEAKJJBVSA-N 411.299 4.964 50 40 HJGB O=C(COc1ccc(Br)c2ccccc12)N/N=C/C=C/c1ccccc1 3039982 BQVIPXXUNOHHET-SKRBABGKSA-N 409.283 4.797 50 40 HJGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 9057847 VLWAQUSQTOTEDM-XNTDXEJSSA-N 415.430 4.622 50 40 HJGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 100090210 GHYIUXTTWQGOTJ-JVWAILMASA-N 403.526 4.877 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@H]2Br 103162741 DLRVFCBBSLTBCI-MAZHCROVSA-N 401.142 4.977 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C 107721201 HQGXBHVGSKPYBN-YDZHTSKRSA-N 418.478 4.981 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1OC 408740020 HRXRYLBKIFCZIF-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408788711 MEELNSPTGNZBHF-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)c1 408950382 JNRKMLDQSLFGFR-QNGOZBTKSA-N 408.505 4.841 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccc(Cl)cc1Cl 409007931 RXEHERBCXWUZRZ-BHGWPJFGSA-N 401.297 4.747 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(Cl)c1 409059662 WJNLSLOMRVXCJW-FSJBWODESA-N 410.861 4.728 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)ccc1OC 409337360 YALHTSQOWNVFGW-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1C 664745 JLOZWOKLORQRBD-QGZVFWFLSA-N 410.399 4.931 50 40 HJGB COc1cc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 4935695 PRZFSCFUIUYDSB-YUMHPJSZSA-N 411.461 4.770 50 40 HJGB C/C(=N\NC(=O)[C@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 5793132 ZISJBMAALUZZHK-AEOXGOBCSA-N 408.727 4.752 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 408744387 KXKWTQLURRCKLU-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409144578 KVNOHLCMYPMFLP-FOKLQQMPSA-N 417.248 4.644 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)cc1F 409216042 DLHPBVURNPWIBG-YDZHTSKRSA-N 405.926 4.712 50 40 HJGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc1OC 2670493 HPNUURJFJRSNND-NBVRZTHBSA-N 422.481 4.596 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2noc(-c3ccccc3)c2c1 3407919 NWUMPDTUDKEOTB-OAQYLSRUSA-N 411.461 4.946 50 40 HJGB C/C(=N/NC(=O)c1cccc(I)c1)c1ccc2ccccc2c1 4160085 BHUXOVLLOLURCA-BKUYFWCQSA-N 414.246 4.598 50 40 HJGB C/C(=N/NC(=O)[C@@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 4647036 ZISJBMAALUZZHK-IKTNTUJMSA-N 408.727 4.752 50 40 HJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 6356394 RFXOGEUGJJJZMN-LJQANCHMSA-N 419.550 4.576 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2Cl)o1 52410610 OEQYEIREZVFITL-ZMOGYAJESA-N 404.857 4.858 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 59333901 LFYXISWYURQBKY-DHDCSXOGSA-N 419.706 4.677 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCCc1ccccc1 206487493 HVHKPDPBIITKSC-HAVVHWLPSA-N 405.501 4.955 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 208321935 QSWKOZIZDDQXPW-HUSFYUSLSA-N 408.502 4.779 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)cc1 408793700 GDUXUMBJJMNEDO-KPKJPENVSA-N 421.678 4.665 50 40 HJGB Cc1cccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)c1 409093668 AGPKJDNQDQXSFD-DEOSSOPVSA-N 412.445 4.521 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1 409195224 SJKGFRHYFGDAJC-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB O=C(COc1cccc(Cl)c1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 919041 MMLOYLXVYFSQPE-VULFUBBASA-N 417.896 4.872 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2c(c1)OCO2 1106646 KYVFAVXBINRRGR-LSFURLLWSA-N 403.221 4.746 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)cc1 2313019 LMMXMRAZZFYYKF-XNTDXEJSSA-N 419.462 4.727 50 40 HJGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1 17090489 JWHATCDVMNFVHJ-WYMPLXKRSA-N 416.264 4.993 50 40 HJGB N#CC(C#N)=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1 59416959 TVKIJCASIFDRME-UHFFFAOYSA-N 423.020 4.810 50 40 HJGB CCCCCCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 408541039 XLGKATYEMNVSIF-KQWNVCNZSA-N 413.474 4.717 50 40 HJGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)NCc3ccccc3)c2c1 408768575 YMDZFKPMKWMJTR-ZHZULCJRSA-N 400.478 4.861 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 9311560 CTWMCPWPHISBSN-GXDHUFHOSA-N 422.824 4.852 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)C(C#N)=C(N)O2 17090433 QVTREQIRNRPLDC-OAQYLSRUSA-N 415.884 4.593 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c32)cc1 17092181 VINVMGCCVGCCNJ-QFIPXVFZSA-N 420.472 4.970 50 40 HJGB N#C/C(=C/c1cn(CCC(N)=O)c2ccccc12)Sc1nc2ccccc2s1 28515415 VHDQRTVIALOCDK-PTNGSMBKSA-N 404.520 4.783 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccco1 59381872 WGDCWHJDPCCFDE-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 100377367 GROKGQJVNZNIGU-ABZVSAKDSA-N 401.850 4.785 50 40 HJGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1F 408815601 IEBVJMACHZJSFD-PDGQHHTCSA-N 417.396 4.859 50 40 HJGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3o2)c1C 2168765 RCYSCGAQOWEWDJ-DHRITJCHSA-N 415.449 4.611 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1OC 5739750 ZDLCFPJYFGKKQZ-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2c(Cl)cc(Br)cc2s1 20132293 IHNPFXFZBQLPFX-LURJTMIESA-N 412.534 4.824 50 40 HJGB O=C(CCCCl)Nc1nc2c(Br)cc(Br)cc2s1 20133563 NJCOGZCPAGCLIG-UHFFFAOYSA-N 412.534 4.779 50 40 HJGB N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc3c(c2)OCO3)cs1 100843712 ONPMTVWOVMRRLR-XYOKQWHBSA-N 410.386 4.563 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N\NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118913930 GFJOPLHDGOHLPB-GCNGNWQXSA-N 415.578 4.541 50 40 HJGB biogenic,in-vitro C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408802732 GRKTZCWWKZZNHI-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(Br)o2)c1 408995143 JLTOETQDCFKGQT-UHFFFAOYSA-N 420.694 4.867 50 40 HJGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)c1 5364348 BGZVEKCVNQZIFH-MFKUBSTISA-N 418.518 4.598 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 33879336 URGNXLIKFRRQEO-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)cc1 36056549 MUPBRPJEEAKKQR-AUWJEWJLSA-N 409.423 4.505 50 40 HJGB N#CC(=C\c1ccc(O)c(Br)c1)/C(O)=N/c1nc2ccccc2s1 41120763 QXULVDHTTMEVOA-YRNVUSSQSA-N 400.257 4.960 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 59410784 AFIJZRRJUVXMCJ-MFKUBSTISA-N 408.885 4.620 50 40 HJGB Cc1ccc(C(=O)C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97951249 UYITZQKZOMZXDG-UHFFFAOYSA-N 423.472 4.741 50 40 HJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408753555 JKWJPXAGWKWKPT-VBKFSLOCSA-N 401.378 4.603 50 40 HJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(F)cc1 408771577 HJPMUTIJKOWXFJ-QBFSEMIESA-N 404.426 4.992 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(F)c2)cc1 408815812 VBWMBHSSYXGMFS-STZFKDTASA-N 416.452 4.637 50 40 HJGB O=C(N/N=C/c1cccs1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408831487 QQYIWLHBSVDHOQ-NLRVBDNBSA-N 417.578 4.967 50 40 HJGB Cc1cc(C)c2nc(/C(C#N)=C/c3c(C)nn(-c4ccccc4)c3Cl)[nH]c(=O)c2c1 5695410 PTGMPEIRYPAGOF-LFIBNONCSA-N 415.884 4.752 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc(C#N)c3)c3ccccc23)cc1 20765027 JMFAPMZFGQUOFQ-LQKURTRISA-N 422.488 4.724 50 40 HJGB N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1c(F)cccc1Cl 38680268 XBFNIHDOSJJLQA-GOSISDBHSA-N 410.788 4.509 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 106595180 VIDHCNULXILWEY-AFUMVMLFSA-N 409.530 4.710 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)CSc2ccc(OC)cc2)c1C 408965480 HQQICFHGLCKLMB-MYYYXRDXSA-N 421.566 4.908 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OC 409022253 KZYNYOYUKYFFDK-CFRMEGHHSA-N 412.873 4.986 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1O 2320095 MHFIMUYJLNGOIR-WGOQTCKBSA-N 411.461 4.770 50 40 HJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3o2)c1C 4083268 BLXSLWIDDOKWHY-DHRITJCHSA-N 415.449 4.611 50 40 HJGB C/C(=N\NC(=O)c1ccc(CSc2nccn2C)cc1)c1ccc(Cl)s1 4631357 YQAMJGIJEZWPLA-CIAFOILYSA-N 404.948 4.581 50 40 HJGB N#Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)o2)cc1 8875115 ROVJMDCHHSVGKU-FSJBWODESA-N 418.503 4.670 50 40 HJGB Cc1ccoc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33635076 PWNWGFRSDZZWJY-QFEZKATASA-N 417.465 4.931 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336299 ZOTSXHKDUCHXHV-PTNGSMBKSA-N 415.276 4.950 50 40 HJGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 100839908 RCCXRUXJGYTREA-VBKFSLOCSA-N 420.450 4.872 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1 408879109 AUODHFPDYISGNH-RCCKNPSSSA-N 414.436 4.749 50 40 HJGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1cccc(Br)c1 408961946 VWRZCGWTXYTZHV-STZFKDTASA-N 401.308 4.595 50 40 HJGB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1 409220141 UTIBXQIXXDMLGQ-QIIGYZROSA-N 404.853 4.723 50 40 HJGB Cc1cc(C)c2c3c(sc2n1)[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O3 659001 YWWBUYJNNRKBBT-HNNXBMFYSA-N 412.312 4.894 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 12576489 OXLOFSOSALNCTL-CEEKNHOZSA-N 412.917 4.673 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCC(=O)N(C(C)C)C(C)C 12939416 LFHILWWEJPWIJE-XDHOZWIPSA-N 414.546 4.632 50 40 HJGB CCOC(=O)/C(C#N)=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12 15226252 RACVQSCCARKTDL-WJDWOHSUSA-N 409.283 4.922 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 40868323 MTAAUUZHRRDMCT-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 96835939 PEQAULLWFDTIBE-QFEZKATASA-N 412.530 4.525 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 108168929 HRHHLUBJHRXJID-MSXFZWOLSA-N 417.343 4.566 50 40 HJGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccccc3Br)oc12 226328041 CJQLHSJDLBHPMB-UHFFFAOYSA-N 402.273 4.719 50 40 HJGB COc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)cc1OC 408582335 MZOFPPNOXKGSDK-XMHGGMMESA-N 421.474 4.536 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1cccc(Br)c1 408604673 WAZXOMYERQJSRZ-LSHDLFTRSA-N 405.198 4.751 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC(=O)c1ccccc1 408887847 RPSDOMOGNPKXRT-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1 945165 MVTXUDFGMYLQRE-QGOAFFKASA-N 407.466 4.682 50 40 HJGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccccc1F)c1ccccc1 1827743 BRNSPWGOAUHIJH-UHFFFAOYSA-N 400.494 4.615 50 40 HJGB CCC/C(=N\NC(=O)C(O)(c1ccccc1C)c1ccccc1C)c1ccccc1 4811371 DYRPUMOBEPNHNI-SOYKGTTHSA-N 400.522 4.860 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 5980177 XPHGOPMWSQVDPS-AUWJEWJLSA-N 403.232 4.829 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1 6209404 ZPZMJTIQDIMBBV-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 8781526 WKZIQCZOBWILHI-AWQFTUOYSA-N 416.102 4.919 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(=O)OC(C)C)c1C 9201635 DCGWGRYTXQWUJW-CVKSISIWSA-N 417.509 4.732 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1 20132201 UXCXEUOCBRFOQI-MRVPVSSYSA-N 406.143 4.788 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(OCC)c1 33656486 XWHKVVNXHNUWDT-LFIBNONCSA-N 421.522 4.842 50 40 HJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 33768644 BLXSLWIDDOKWHY-MXAYSNPKSA-N 415.449 4.611 50 40 HJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21 408587712 GSWAPJSKNXQZAP-MZJWZYIUSA-N 412.880 4.979 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1C 408592495 YQRYYHPBZJBJJG-AFUMVMLFSA-N 418.497 4.620 50 40 HJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 408810498 JGMPFVCXKNKHJZ-UNOMPAQXSA-N 417.440 4.786 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(C)c1 409190985 XQIFVHSYRGPMKL-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1 409369445 NRPKTABZXOYWNQ-HXUWFJFHSA-N 409.461 4.591 50 40 HJGB O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1602228 RECMEXFQKOOMMK-UONOGXRCSA-N 413.065 4.677 50 40 HJGB Cc1ccccc1NCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 1738625 UCKPCHFFIWVROQ-LQKURTRISA-N 410.521 4.869 50 40 HJGB CCOc1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 101494039 GNAQPJJIBSIKNX-AUWJEWJLSA-N 421.298 4.856 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 118912435 SMJCXQBAPTXOIC-XVYLQWLCSA-N 409.364 4.823 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 408788210 JDLDQFQVROGOHA-FOWTUZBSSA-N 406.825 4.932 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OC 409335474 OEYLESFJLHZIBR-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB O=C(c1ccccc1O)[C@H](Br)[C@H](Br)c1ccc(F)cc1 2570384 OYUFHINMSISLIY-ZIAGYGMSSA-N 402.057 4.614 50 40 HJGB N#CC1=C2SC[C@@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@@H]1c1ccc(Cl)cc1 12275526 XLKBOIGHSWSIFZ-OXQOHEQNSA-N 417.317 4.637 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCCc1ccccc1 13424134 INUMJYWMIWZDDB-SFQUDFHCSA-N 420.852 4.564 50 40 HJGB CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408566939 BRXIZEOIDCFUOG-OEAKJJBVSA-N 414.596 4.992 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 409235582 CFBBQYTXWSLKIP-WBRURWICSA-N 414.465 4.787 50 40 HJGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1 409368481 XYHVJGJOVNECBZ-OAQYLSRUSA-N 421.566 4.925 50 40 HJGB CCOc1ccc([C@@H](CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C)cn1 953019706 LVOQPODXLJKNOC-CPJLOUKISA-N 400.661 4.595 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(Cl)c1 2748082 QFZXBHUJEGANHN-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C 2844686 YNJGIRCXBRHVAS-KOEQRZSOSA-N 419.481 4.617 50 40 HJGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1 33665010 OAKUOEIGXTUGNQ-JVWAILMASA-N 418.516 4.906 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408806882 NMXGGOMMWABGHW-GYZOOYGHSA-N 413.315 4.850 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1 408808868 GHTDIWGTZVUCFJ-GZTJUZNOSA-N 412.873 4.850 50 40 HJGB C#CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 409039385 GNIKAZKDCSQUFN-OVVQPSECSA-N 405.457 4.678 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1C(=O)O 409211560 OHQAEVWLYJWLMS-CVKSISIWSA-N 411.461 4.709 50 40 HJGB CCOC(=O)C1=C(C(F)(F)F)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 1070304 MSQUYEPHOXFOBR-QGZVFWFLSA-N 414.383 4.541 50 40 HJGB Cc1ccc([C@H](Br)[C@]2(Br)COc3ccccc3C2=O)cc1 3138100 MYIMIESVURRHAN-DOTOQJQBSA-N 410.105 4.840 50 40 HJGB CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 4592653 JHNHHYCCNQTBFB-DZQKVFKYSA-N 417.553 4.755 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1 15223229 BDBPDZSQESUQPO-STZFKDTASA-N 413.477 4.817 50 40 HJGB N#CC1=C(N)OC2=C(CNC/C2=C\c2ccccc2Cl)[C@H]1c1ccccc1Cl 20528816 QNSAUXOCMHPJAC-PCLFDXGNSA-N 410.304 4.742 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)o1 408598718 JGNSCNBIPMZMBI-ZVHZXABRSA-N 421.453 4.925 50 40 HJGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc(Br)cc1 408726374 LWHPKVGARKZYTO-WSDLNYQXSA-N 413.340 4.986 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H]1COc2ccccc2O1 2341454 FQTUYYIXBXATDW-LCLGRWFKSA-N 417.248 4.544 50 40 HJGB COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 2417858 XEQAKZFSKJPMFD-JOCHJYFZSA-N 420.472 4.766 50 40 HJGB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N/N=C/c1cccc(Br)c1 3167080 MQZZTRBJKWGZGL-HJGVYBFFSA-N 403.320 4.799 50 40 HJGB CC(=O)N(/N=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 4478104 PBLFKKPPLDEBGB-RGVLZGJSSA-N 400.301 4.960 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1 6746252 CGHDXVBYGSKGQB-HXUWFJFHSA-N 419.550 4.867 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C 223479533 FZKAXFKEXCASIS-YSMPRRRNSA-N 421.541 4.635 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2)c1 408859494 UTHNGACNVKIMRW-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1 409197543 IITRQCSPRXGPFV-WBNHJWIASA-N 418.324 4.603 50 40 HJGB N#CCC(=O)N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12 2208616 IJGZTXQAPIUKLR-ZMOGYAJESA-N 422.282 4.545 50 40 HJGB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC(C=O)=C2Cl 3082275 VBDZCDPNRIIRKV-UHFFFAOYSA-N 424.305 4.926 50 40 HJGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc21 208200534 GRIKSJOFGYXPKE-JMKVTYIUSA-N 414.347 4.935 50 40 HJGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208252528 MYUHMWIUQBEYBS-GHONEHJGSA-N 414.893 4.734 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 216034750 FIDCQVCURBIYKS-ZHZULCJRSA-N 414.461 4.828 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 408823967 GCPKBZQQAPGVIB-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccc(F)cc1 5588663 DUYNMLUREJUZFH-HNNXBMFYSA-N 401.228 4.741 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@H]1COc2ccccc2O1 13597571 FQTUYYIXBXATDW-LMYHHNOQSA-N 417.248 4.544 50 40 HJGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 59417846 YDEVQAHKPUEINN-AWQFTUOYSA-N 416.102 4.919 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br 408742240 QDZMWBQFSYNZQV-BUVRLJJBSA-N 423.310 4.860 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 408817982 XJZLCRNODYKHHR-AQTBWJFISA-N 417.440 4.566 50 40 HJGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 409180406 RZGNGBBNRJTQKT-SSDVNMTOSA-N 413.817 4.589 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 409349087 QQNRULIELGDYOT-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB C[C@H](NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1)c1ccccc1 1801148 NCEFWYGCAXBQQH-VBNZEHGJSA-N 411.137 4.764 50 40 HJGB CCOc1cc(Cl)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 2799171 HKQFZJVTHHUXIR-YCRPNKLZSA-N 422.916 4.731 50 40 HJGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2 4863728 JTQDKXNYJCUCOG-VULFUBBASA-N 406.486 4.986 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2C)cc1 5927640 SUOWPYSAOBBJDH-LFVJCYFKSA-N 401.938 4.804 50 40 HJGB CCOc1ccc([C@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 6355286 DTFOIGFRZRVCED-HXUWFJFHSA-N 408.523 4.545 50 40 HJGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1 109018047 COVNCGDVFFMZGL-QGOAFFKASA-N 417.396 4.816 50 40 HJGB CCCC1=C(C(=O)OCC)[C@@H](c2cccc3ccccc23)N2C(=N1)SC(C#N)=C2N 408605209 KYASZTRHUXDNJB-HXUWFJFHSA-N 418.522 4.568 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OC)c(Br)c2)cc1 408744396 FGLSHAMJXHKUKO-GHXNOFRVSA-N 421.678 4.665 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408788998 GYYKDOSAAGOAPH-NTEUORMPSA-N 418.365 4.617 50 40 HJGB Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408946739 POZITRZKHZTMBA-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(C(=O)O)cc3)sc2c1Cl 408969348 MJROERAIBAGFJJ-WNFQYIGGSA-N 423.277 4.679 50 40 HJGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409215359 ZOOHOPOAVPNPKA-OFJBCHTGSA-N 406.935 4.768 50 40 HJGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1421637 GDRKYBSTUCAPIR-OEAKJJBVSA-N 421.478 4.771 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 2283677 LXJJIDPHMFVEQK-YCRPNKLZSA-N 406.869 4.557 50 40 HJGB CCSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1 22062918 UUQGGDQYGKCXRF-FQEVSTJZSA-N 409.511 4.684 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1 59535597 KSLPJUKGZIJFNT-UYRXBGFRSA-N 420.446 4.735 50 40 HJGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 409054959 HLQVJDQYNNDKJR-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409367977 KYBYBRJPTQYYPM-FQEVSTJZSA-N 407.539 4.617 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2)c1C 1096853 NNTZMMXHQBFHIW-FYJGNVAPSA-N 414.465 4.534 50 40 HJGB CC(=O)NC1=C(C#N)[C@@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 36612548 MKDPZPPUDLQFHM-HXUWFJFHSA-N 419.278 4.998 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)c3ccccc3)c2)cc1 59194053 KWPXUXANVQLYQJ-XSFVSMFZSA-N 403.459 4.553 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 59225067 LFEJCTNCDUDMEV-BKUYFWCQSA-N 416.452 4.637 50 40 HJGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 96751811 NFFOMRVNEXFZIB-PTNGSMBKSA-N 405.439 4.653 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1 408744480 LKLAXMMMNLQYRG-KAMYIIQDSA-N 419.393 4.505 50 40 HJGB O=C(COc1ccc(Cl)c2ccccc12)N/N=C/c1ccc(Br)cc1 811270 BETJKTIFRDGXDL-SSDVNMTOSA-N 417.690 4.785 50 40 HJGB COc1ccc(/C=N/NC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 1883545 MOVNTYYLLQTUBL-ARUJPYNKSA-N 417.553 4.927 50 40 HJGB O=C(COc1ccc(Br)c2ccccc12)N/N=C/c1c[nH]c2ccccc12 3140386 JAUTWKBPCYANGG-WYMPLXKRSA-N 422.282 4.613 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4502526 LTDVEJSATQGDDS-MFKUBSTISA-N 404.535 4.958 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 8812270 DGWAKMKOMDVRBO-FOKLQQMPSA-N 414.824 4.559 50 40 HJGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 9972848 OIWKUUTWOAXGBB-MLJKTZRHSA-N 400.862 4.777 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c1 16409820 PSTUBOVTTFGDOS-DEDYPNTBSA-N 414.461 4.828 50 40 HJGB CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCCOC)=C(C)N1 20170953 MTQTUNFAGDGSKD-LJQANCHMSA-N 420.962 4.759 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 33646060 UJHWBYVRPMYOKT-OYKKKHCWSA-N 415.405 4.781 50 40 HJGB Cn1c(C2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)nc2ccccc21 96222674 GJGMFEXLGZBJQT-KRWDZBQOSA-N 403.617 4.993 50 40 HJGB biogenic C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104816235 DAGFPTOMGCSJOP-LKCUONQHSA-N 420.519 4.663 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 408590593 PUMKJXMEKHYCLB-FSJBWODESA-N 410.861 4.728 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccccc2F)c1 408892401 AZSBDGCRVRUDIO-LDADJPATSA-N 418.424 4.665 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408960509 GCJBATSYOODPTP-ZVHZXABRSA-N 415.405 4.684 50 40 HJGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc2cc(Br)ccc2o1 1053557 VBTBVLPRGGQRTJ-LSFURLLWSA-N 411.177 4.978 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1 1319406 YKNIHDSQUNNSIB-LVCXCXRVSA-N 419.319 4.500 50 40 HJGB CC(C)(C)S(=O)(=O)/C(C#N)=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2561676 IQMQRIQFWBDCEL-WQLSENKSSA-N 400.344 4.714 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)c(OC)c3)n2)c1 31906025 KFMOLDWAJDXBOO-PXNMLYILSA-N 408.479 4.909 50 40 HJGB Cn1ccnc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 44022690 OIPMANRPTPJWKY-HMMYKYKNSA-N 408.461 4.698 50 40 HJGB O=[P@@](Cc1ccccc1)(c1ccccc1)c1ccccc1I 95611978 UVJKNQJNKVQYJK-QFIPXVFZSA-N 418.214 4.805 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@@H](C)CC1(C)C 223531068 AMZVFKOPJQROEV-FTWDSPQQSA-N 413.949 4.981 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c(C)c1 408746548 ZZLOPPNBEXJWGY-AQTBWJFISA-N 400.434 4.896 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1 408776966 SOSNPNWVNMEPTG-MFKUBSTISA-N 412.449 4.919 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 408864711 YLOSMFGTMSLMEG-FSJBWODESA-N 414.278 4.760 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3cccn3-c3ccc(C)c(Cl)c3)oc12 409020131 MANMFVUERPGINL-ZMOGYAJESA-N 407.857 4.958 50 40 HJGB COc1ccc(N(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1 504640619 GSKPJTLOCASRRI-UHFFFAOYSA-N 415.276 4.994 50 40 HJGB in-vitro O=C(c1cccc(OCc2cccc(F)c2)c1)[C@@H](Br)CBr 575357687 SRDILIJQDXKWIX-HNNXBMFYSA-N 416.084 4.746 50 40 HJGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2157997 QWJKKXRZSYSGPW-GHRIWEEISA-N 405.479 4.972 50 40 HJGB N#C/C(=C\c1ccc(OC(F)F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 3276647 YAILLDURMBEJJU-NTUHNPAUSA-N 404.221 4.933 50 40 HJGB O=C(N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccc([N+](=O)[O-])cc1 4679836 CNAJJYSEIBWGLM-AFUMVMLFSA-N 419.481 4.532 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1 9203495 UGELSQHHEKLTRX-ZVHZXABRSA-N 424.342 4.858 50 40 HJGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1 33958811 FAKVIYSPPWXQKY-OVVQPSECSA-N 423.472 4.769 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1cccc([N+](=O)[O-])c1 108046231 STCZNIFRGBVTJE-NDENLUEZSA-N 400.390 4.936 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1OCC 409139107 MOYZHOXBYQKNIG-XQNSMLJCSA-N 400.544 4.815 50 40 HJGB CC(C)CC(=O)NNc1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2427169 GUMQHLGTLZOXFE-UHFFFAOYSA-N 408.593 4.532 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccs3)c2)cc1 8916204 SPIPKYMCVDWNHK-ZVHZXABRSA-N 422.506 4.620 50 40 HJGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 9537037 JXKNXEAHDGLXBN-FQEVSTJZSA-N 405.523 4.819 50 40 HJGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 17093088 OVIVDFQPWJLSQM-XJMWCGESSA-N 422.488 4.974 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(C)C 33339757 KCEJWFGTGMNEEE-GDNBJRDFSA-N 415.287 4.791 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Cl 409185938 SXOAMVODRFONJW-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4505214 KCEJBDYIHJNRJB-GEYFNICTSA-N 409.486 4.545 50 40 HJGB C/C(=N\NC(=O)COc1ccccc1C(C)(C)C)c1ccc(Br)cc1 4724411 GWCLTAOIDCLSQL-HYARGMPZSA-N 403.320 4.666 50 40 HJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C=C\c1ccco1 4951484 RCEHHTZGHVCIHN-WIGFUQKASA-N 416.506 4.585 50 40 HJGB CCCCCc1cc(C(=O)N/N=C(\C)c2ccc(O)c(OC)c2)c2ccccc2n1 5700925 VCSWBAIUTHNMMY-WGOQTCKBSA-N 405.498 4.836 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760447 XCDHRPFMYIJTIX-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)c2sc(Cc3ccccc3)nc2C)cc1 31798554 KZIVNPUEEFHUFD-JLPGSUDCSA-N 406.555 4.652 50 40 HJGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 33919341 BSALFTUVBDFFCP-JXAWBTAJSA-N 414.896 4.878 50 40 HJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1 35401945 FKVPRAQYYNLCFX-PDGQHHTCSA-N 417.396 4.816 50 40 HJGB O=C(Cl)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887691 GUNSGWBNMPTVOT-JTQLQIEISA-N 409.656 4.920 50 40 HJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)C1CCCCC1)oc1ccccc12 100929993 PCXMYXFJAJYPSC-CVKSISIWSA-N 421.497 4.996 50 40 HJGB O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1 103437710 VLFHZRABCGYHOA-UHFFFAOYSA-O 411.465 4.760 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 107462586 RIESMGMUMWYZTD-QFEZKATASA-N 424.884 4.700 50 40 HJGB CCCCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5978663 JHNHHYCCNQTBFB-MOYGZLJBSA-N 417.553 4.755 50 40 HJGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 15228786 WPXKORCWLNYCNY-IZQUAUAFSA-N 412.873 4.900 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OCC 59473050 GLINKLBPOPKHCG-YDZHTSKRSA-N 420.962 4.911 50 40 HJGB CC(=NNC(=O)CSCc1cccc(Cl)c1)c1ccc(Br)cc1 254405287 YXUGCANKQTUXAV-UHFFFAOYSA-N 411.752 4.876 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] 408599584 WUXYHRBJEDYAHL-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1 985829 CNTWDYCEKDVKAJ-HXUWFJFHSA-N 400.482 4.502 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)cc1C 2109253 GFYCEPSQIJWBML-VULFUBBASA-N 411.509 4.633 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)cc1 4032027 VEZRUAVRNQGENX-XMHGGMMESA-N 400.434 4.977 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(NC(C)=O)cc3)n2)cc1OC 100302539 RHWOWSIQVTYOKM-FOWTUZBSSA-N 420.494 4.762 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1C 408992380 AUJGBQBQVXQQLL-DHRITJCHSA-N 409.917 4.893 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)cc1 409243573 SQQCEQDZTGADGB-CYVLTUHYSA-N 405.498 4.630 50 40 HJGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1 6324336 LOFSSDYVMKRPFL-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)c(C)c1 409118676 QIKYHAGDJMKOAV-GHRIWEEISA-N 416.433 4.596 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 1089361 JETDBHUJVHKVEV-WGOQTCKBSA-N 405.929 4.856 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1OCc1ccccc1 1435716 IUDPECUICIRBNF-MSIOFZDNSA-N 418.493 4.502 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Cl)cc1)c1nnc2n1CCCCC2 5447353 XBVQVLUHUHLUOT-SAPNQHFASA-N 418.884 4.941 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1O 58601850 OGUCWEZXSNNWAN-NVNXTCNLSA-N 415.287 4.716 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CBr)CC[C@@]43C)[C@@H]1CCC2=O 118926655 ZACWFFSSQLMXTB-JBQOJDCNSA-N 409.364 4.825 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OCC 408719638 ILDQLDTUILBZBQ-HYARGMPZSA-N 406.935 4.770 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 409203534 YRBMWHHNMNVDDV-SSDVNMTOSA-N 414.870 4.541 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3)o2)ccc1Cl 409361918 QLKCVPVOCVUJAJ-AFUMVMLFSA-N 424.884 4.778 50 40 HJGB N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)Nc1nccs1 1279269 LBMSQHSRAUBINP-PKNBQFBNSA-N 400.257 4.711 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(F)F 3333855 QOXHRJKGIVTTRP-KPKJPENVSA-N 412.314 4.861 50 40 HJGB O=C(N/N=C/c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)c1ccccc1 6962384 HIHUSNRQQWQQLR-BUVRLJJBSA-N 400.507 4.706 50 40 HJGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)c(C)c1 20243824 UNVDGCZIZCYELS-SSDVNMTOSA-N 404.352 4.970 50 40 HJGB CC(C)(C)c1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O 110035716 BPSILCXMMMNDEP-OYKKKHCWSA-N 411.502 4.588 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 408818732 QIOLCEHJUZOSJA-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c(Cl)nc2c1 408859826 TXPCPICMMULJRG-CHOFVFFHSA-N 413.930 4.669 50 40 HJGB COc1c(Cl)cc(Br)cc1/C=N/NC(=O)c1ccc(C)cc1Cl 409051755 GBNNADOORPQZDQ-DNTJNYDQSA-N 416.102 4.837 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccn1 409238917 OJNSKFMFWWLRNL-BOPFTXTBSA-N 421.298 4.797 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409241018 MWGZOEXVYICWBF-ZKMNFCBKSA-N 417.421 4.648 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC 409317418 PUIBVMYRYSKPLA-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 3255517 AJXIWGXOXWOFCK-UUILKARUSA-N 407.253 4.565 50 40 HJGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cc2ccccc2cc1O 3284853 MXDLGEKDVJZTMK-BRJLIKDPSA-N 422.847 4.596 50 40 HJGB Cc1c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(Cl)nn1-c1ccccc1 4545237 KIFPBXWXETXPAR-OHHQFBAHSA-N 412.946 4.606 50 40 HJGB Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc2[N+](=O)[O-])cc1 4595286 ZJCJMSKVKSOHRW-AWEZNQCLSA-N 408.785 4.548 50 40 HJGB Cc1cc(NC(=O)N/N=C/c2ccc(OCC(C)C)cc2)ccc1Br 4680824 JLEYMOQZRWAYTK-SRZZPIQSSA-N 404.308 4.948 50 40 HJGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1cc2c(s1)CCCC2 9661983 GVMQCGVHTZNBCX-NUGSKGIGSA-N 416.396 4.594 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1 20348028 OEVYJVCLAXRFPR-LAUBAEHRSA-N 419.550 4.861 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)O 33738716 DLPFZTOYSMYASC-QPEQYQDCSA-N 420.234 4.514 50 40 HJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)cc1 59433057 IYAVHERBSHAJMJ-RCCKNPSSSA-N 419.525 4.627 50 40 HJGB O=C1Nc2ccccc2/C1=N/N=P(c1ccccc1)(c1ccccc1)c1ccccc1 104152379 MQVQSZNNHOAKAV-UHFFFAOYSA-N 421.440 4.521 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C 223576011 CBJKLFKGMZATEL-OMTSMLQXSA-N 423.557 4.645 50 40 HJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)cc1 408708819 TZZJSGXWYYKQGS-AFUMVMLFSA-N 420.900 4.789 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc(C)c1 408746207 CFKVRDKKSBWRHB-UCQKPKSFSA-N 412.489 4.806 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)CSCc3ccccc3C)c(Cl)nc2c1 408827547 KKOIARGKLSFNSO-FOKLQQMPSA-N 413.930 4.589 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3O[C@@H](C)CC)cc2c1 409187864 VEPRWCJMNYIPJH-YNNOXIHVSA-N 410.470 4.781 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 2898294 BMNZOIDIAWNKLP-VULFUBBASA-N 407.901 4.790 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 3660932 WCBSUULGKWWPDI-LPYMAVHISA-N 404.919 4.546 50 40 HJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 8861126 NPXSPVCZHICCBR-ZMOGYAJESA-N 420.812 4.676 50 40 HJGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 16035306 MGOUMLSLCUGQNN-ZDUSSCGKSA-N 421.158 4.696 50 40 HJGB CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 16890445 GXLQCYKRTNPLMH-ATVHPVEESA-N 418.478 4.670 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 33406330 SFEMSJGWRYVIAM-UYRXBGFRSA-N 400.438 4.856 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(F)cc1 408783006 LVZYAXISRKUIOK-MFOYZWKCSA-N 416.880 4.888 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc([N+](=O)[O-])c1 408888977 DCVQPOGTYMJSTL-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)ccc1Br 409002603 VOWJLQPMXFXKQJ-QRVIBDJDSA-N 410.315 4.929 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)sc2c1CC[C@H](C)C2 942015 JOZRJXLXAWCSGT-AOHITCTBSA-N 424.522 4.604 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC1CCCCC1 1096127 JCPDPPPFUWFBGD-XMHGGMMESA-N 405.454 4.530 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 2052845 TVWWSDQVGLOIPX-AFUMVMLFSA-N 424.932 4.661 50 40 HJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 2683881 JZWYSPWMVQGJRU-OGLMXYFKSA-N 423.520 4.996 50 40 HJGB C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(Br)cc1 4199250 LUTGGMIUXRGFOP-JCMHNJIXSA-N 403.320 4.800 50 40 HJGB C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc2c(c1)Nc1ccccc1S2 4619012 MZBFOUCULYZBCZ-FOKLQQMPSA-N 411.918 4.744 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 408544877 VTRBZHMYGRUNRL-MOSHPQCFSA-N 400.390 4.936 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 408806853 BZLMQTKRBHMJLL-RVDMUPIBSA-N 413.271 4.568 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(C(=O)O)c1 408989895 JIPISTHNFJGJEM-YSMPRRRNSA-N 411.461 4.709 50 40 HJGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccccc2O)cc1 409112158 FFZLBMQJLCHZDG-XKZIYDEJSA-N 407.451 4.524 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)sc(C)c1C 1453429 HPNFJCLAVDQPSL-GZTJUZNOSA-N 412.511 4.875 50 40 HJGB O=C(O)CSc1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 1677657 XXDBHMXPCFIZMH-LPYMAVHISA-N 411.354 4.898 50 40 HJGB O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cccc(C(F)(F)F)c1 4544624 TXTHYMCEZGVUHH-NUGSKGIGSA-N 410.193 4.713 50 40 HJGB N#C/C(=C/c1cc(Br)cc(Br)c1O)c1nc2ccccc2[nH]1 13800457 OVWSBQYLROLYEM-YHYXMXQVSA-N 419.076 4.858 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 13810375 NHNHWOOMEYVKRC-YVLHZVERSA-N 403.413 4.508 50 40 HJGB C/C(=N\NC(=O)c1cc(-c2c[nH]c3ccccc23)on1)c1ccc(Br)cc1 15945496 ULBWLOWIYHIKRA-FSJBWODESA-N 423.270 4.739 50 40 HJGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 59417053 QQRJRUYCUJYOMM-BUVRLJJBSA-N 415.522 4.573 50 40 HJGB Cn1c(C2CCN(C(=O)CCCC[C@@H]3CCSS3)CC2)nc2ccccc21 96222671 GJGMFEXLGZBJQT-QGZVFWFLSA-N 403.617 4.993 50 40 HJGB biogenic Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(/N=N\c2ccccc2)ccc1O 102552912 QKZIVGVPKDGSEN-HJGFNLKQSA-N 402.454 4.954 50 40 HJGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)SCCS1 409360987 GHDLHVUIHRJMKG-LPYMAVHISA-N 420.987 4.955 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1Cl 1094405 SKHXYSXUHGLHBQ-VULFUBBASA-N 419.868 4.563 50 40 HJGB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2303844 JYNFVFODSRNDKP-VUEBRRCKSA-N 413.477 4.668 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 3195175 ZAADHCXIZUHLLI-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5892883 ROJRSRCOTICZAR-COFLFTIZSA-N 403.526 4.849 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OC 6155368 YJFCTRMKUDVLIH-ZMOGYAJESA-N 412.873 4.673 50 40 HJGB COc1ccccc1C(=O)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 30961258 FKLJFWHTLXYBDV-YSMPRRRNSA-N 401.441 4.601 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 408756650 RVXZWHGPGLWKJG-MSXFZWOLSA-N 416.308 4.930 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(O)cc1 408798054 UAQAEIIVTYWWJI-FMIVXFBMSA-N 409.785 4.759 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(Cl)c1O 408798390 ICALPBFZMQAAAV-WUXMJOGZSA-N 407.253 4.652 50 40 HJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 409128053 KNWIYJFGXUSFSU-NSMHLIOHSA-N 409.467 4.794 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@@H]2c1ccsc1 1065115 DXUBASFASHZIKC-FQEVSTJZSA-N 400.507 4.561 50 40 HJGB CCCNC(=O)N(NC(=O)NC1CCCCC1)c1nc(-c2ccc(C)cc2)cs1 8169737 FLLULSFAKRFYBZ-UHFFFAOYSA-N 415.563 4.591 50 40 HJGB CC/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(O)cc1 12586231 SOVPFOMUBPHZAN-HEHNFIMWSA-N 421.360 4.794 50 40 HJGB N#C/C(=C\c1ccccc1Br)C(=O)Nc1sc2c(c1C#N)CCCC2 39991755 PNMKIFLSZFJMAW-UKTHLTGXSA-N 412.312 4.807 50 40 HJGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1 216042088 VTLKIYDAAKLPOH-QQXSKIMKSA-N 402.494 4.584 50 40 HJGB C[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@](=O)C(C)(C)C 1857795097 LXWTWAWYYSDHRN-ACSYHNTCSA-N 423.562 4.900 50 40 HJGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cccc(Br)c1 4402069 PPZWOBZCTJMCJN-HZHRSRAPSA-N 416.319 4.509 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 5020836 NIJVUNCRXMEHDE-UKTHLTGXSA-N 409.785 4.759 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 5219719 IRSYATOQRIIXIA-HXUWFJFHSA-N 400.482 4.817 50 40 HJGB CC(/C=C/c1ccccc1)=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 16136597 CQOMAPFPNQRIBG-FYILFPATSA-N 400.478 4.850 50 40 HJGB Cc1ccc(C(C)C)c(OCCn2cccc2/C=C(\C#N)C(=O)NCc2ccco2)c1 27838737 FMVKBTRENHMYKG-HMMYKYKNSA-N 417.509 4.815 50 40 HJGB C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 33729446 BTQLAUGRBCXOSM-VROXFSQNSA-N 404.219 4.965 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 59335021 OXJJOJAPFMFAEM-CPNJWEJPSA-N 400.438 4.856 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NC[C@@H]1CCCO1 408734448 GMKWVRNIRNVSOS-NLZIUFDSSA-N 412.489 4.621 50 40 HJGB CC[C@@H](C(=O)OC)c1ccc([C@H](CCl)CNC(=O)OCc2ccccc2)cc1 2362804938 VWSGZLPYVFBAPN-WOJBJXKFSA-N 403.906 4.602 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(Cl)ccc1O 5660489 GVCDPVIOLPDPRY-DHRITJCHSA-N 403.869 4.813 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc(Br)ccc1O 8386719 LPVKWADNBTUYLG-UFFVCSGVSA-N 419.662 4.832 50 40 HJGB C=CCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 12249963 FARSBNQVTOGTFV-QFIPXVFZSA-N 417.534 4.949 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Cl)cc1 33661896 OZQBYMUSVHWEAH-YVNNLAQVSA-N 403.221 4.716 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1O 208123406 PHZHMZYWWAKVFS-OQLLNIDSSA-N 402.372 4.694 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1ccc(N2CCCC2)cc1 408677850 VNNKYIZYGBZPMU-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408825558 DTBNZAHHIXSALW-WPWMEQJKSA-N 410.473 4.948 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1O[C@H](C)CC 409240836 QCIMGMIGXJOQMF-GKBXUSSOSA-N 406.885 4.748 50 40 HJGB Cc1ccsc1/C=N/NC(=O)COc1ccc2ccccc2c1Br 672389 AYQNKBUESKOYGU-KEBDBYFISA-N 403.301 4.501 50 40 HJGB Cc1ccc(C(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 3211755 USBXXRNYAICDBS-UHFFFAOYSA-N 410.558 4.689 50 40 HJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 5678045 SINJHETWBRDALD-MDWZMJQESA-N 405.679 4.965 50 40 HJGB CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1O 44827379 RZSSZKGJIJZWMU-SXGWCWSVSA-N 408.479 4.996 50 40 HJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2CN2CCSCC2)c1C 96402493 VMYLXMJIRKXZBN-PXLXIMEGSA-N 422.598 4.609 50 40 HJGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 408545088 YZEJFNAZDPPRNG-WJDWOHSUSA-N 405.841 4.683 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 409196665 XLFBTHVDDMERLA-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(I)cc1 409367552 ACURFFGNTLKRMG-GHXNOFRVSA-N 410.598 4.917 50 40 HJGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(F)(F)F)cc1 12860626 YYEYQGXTIHZKTO-LSHDLFTRSA-N 415.209 4.631 50 40 HJGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C/c2ccc(Cl)cc2)C1 19597256 GTYYIFJDTNWPHN-JMOSNPTESA-N 403.913 4.821 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 33482011 UXLGIXAPZBPQIN-OYKKKHCWSA-N 423.856 4.520 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 59433304 NBNZJBKGGYRRRY-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br 408815707 UCDHMMCCHZRWFE-QDDJLWQGSA-N 403.320 4.616 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OC 409315811 WZPZYADGMKKLGS-FMCGGJTJSA-N 423.296 4.729 50 40 HJGB CCOP(=S)(OCC)Oc1nc(-c2ccc(Cl)cc2)nc(COC)c1C 2559265 SFCLKBXYGMSNGQ-UHFFFAOYSA-N 416.867 4.928 50 40 HJGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)ccc1O 3162514 KALDZIMWQVRLFP-AFUMVMLFSA-N 412.530 4.644 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)c1 9261946 HXZJSIJNCZNETO-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)cc3OC)n2)cc1 12062441 LWXHAIVKFBLQAZ-SXGWCWSVSA-N 408.479 4.909 50 40 HJGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 33683075 JCDKRJHJYHBCPI-QFEZKATASA-N 408.885 5.000 50 40 HJGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(Oc2ccccc2)cc1 108904723 FTWRUSNXVGVVNU-JVWAILMASA-N 421.456 4.743 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)c(C)s1 6300267 VNHQEIABDKCASR-HNNXBMFYSA-N 416.428 4.992 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1 6792692 PDIBABXXJLUFPD-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1ccccc1C1CCN(c2ccc(/C=C/C(=O)Cl)cc2[N+](=O)[O-])CC1 15020207 UGTTYZSHLZRXIA-VQHVLOKHSA-N 400.862 4.766 50 40 HJGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 16606634 MFPMKNBLQUDUGD-GOSISDBHSA-N 400.265 4.714 50 40 HJGB O=C(N/N=C/c1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 19818088 WNKDULJATWNWJB-CVKSISIWSA-N 403.913 4.662 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C2/CCCc3ccccc32)c(Br)c1 31829059 RGYCUZOWQRATNV-NMWGTECJSA-N 415.331 4.808 50 40 HJGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 58914535 IPOXFMLYYPRDRS-CFRMEGHHSA-N 409.873 4.812 50 40 HJGB O=C(c1cccc(Br)c1)C(Cl)C(=O)c1cccc(Br)c1 100802054 AGLNTCIPKVVOIV-UHFFFAOYSA-N 416.496 4.885 50 40 HJGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccc(F)cc1 408859077 SMQROGDXIRNNIG-MTJSOVHGSA-N 401.239 4.535 50 40 HJGB Cc1cc(NC(=O)N/N=C\c2ccc(C(F)(F)F)cc2)ccc1Br 408905190 UXGGUVMCRQHMAT-NKVSQWTQSA-N 400.198 4.932 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1 409001257 OQUNDKOPPNBZNE-RGVLZGJSSA-N 402.317 4.682 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1ccccc1OCc1cccc3ccccc13)C(C#N)=C(N)O2 646898 PUVGQVCIJYLMSE-QHCPKHFHSA-N 408.461 4.669 50 40 HJGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 3321289 SVNCUIRQTMANPP-RCCKNPSSSA-N 412.445 4.598 50 40 HJGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 6051225 ZIWRHZISAWCARB-ATVHPVEESA-N 409.442 4.718 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1 40457647 VMSITKJAPJISNU-QGOAFFKASA-N 424.460 4.653 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N1CCSC1=C(C#N)[C@@H]2c1ccc(Br)cc1 67257873 WLSKEJJLTFNHRB-KRWDZBQOSA-N 415.356 4.973 50 40 HJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCc1ccccc1 408747531 PHOLUZAZGRZTTC-YBEGLDIGSA-N 406.825 4.522 50 40 HJGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408816292 YGKMKFPTWYCYLO-COOXJWIVSA-N 419.481 4.776 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408820458 WGCSKLGWOKYVEU-GDNBJRDFSA-N 400.837 4.988 50 40 HJGB Cc1cc(C)cc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408843352 DKEMTWRLXMBHQB-QFEZKATASA-N 417.465 4.736 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1[N+](=O)[O-] 408857898 PPQVWXDARXRTQF-CFRMEGHHSA-N 416.437 4.821 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 408880352 HLPKDVABJSLUOU-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 408915467 VREKIFXJCSJBPD-MXAYSNPKSA-N 418.497 4.873 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 409185669 OIWYZJUSICDPDH-FSJBWODESA-N 410.861 4.728 50 40 HJGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 4853360 MDHSQWTVADVXNE-NVNXTCNLSA-N 401.403 4.889 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 9201453 CCCQMOUGHPPOFJ-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB N#CC1=C(N)OC2=C(CNC/C2=C\c2ccccc2Cl)[C@@H]1c1ccccc1Cl 20528814 QNSAUXOCMHPJAC-CBHXRGPZSA-N 410.304 4.742 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1 408814308 GVRQGKUHTVKMKU-UYRXBGFRSA-N 416.456 4.737 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1 408875697 KBOQRDZAWDZPEU-KGENOOAVSA-N 414.436 4.749 50 40 HJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 408927180 ZVUZOYXPCOCAPU-LDADJPATSA-N 416.437 4.557 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc(C)c1 409243319 XNUBZCFHBWEXPY-YUMHPJSZSA-N 420.484 4.805 50 40 HJGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1 409368661 GWEQOQKTIVATIX-NRFANRHFSA-N 405.498 4.760 50 40 HJGB Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)N3CCCC3)c3ccccc32)c1 2769033 OLLZIXWOZBGBOA-PGMHBOJBSA-N 413.521 4.867 50 40 HJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1c[nH]c2ccccc12 3225580 SMHWUZXQDIBJLX-DHRITJCHSA-N 411.490 4.846 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@H](Br)C2=O 4185851 VBZCTPJZVASQHJ-JLZZUVOBSA-N 418.253 4.803 50 40 HJGB Cc1ccc(C)c(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1 9510944 MHSJCQVMKWQBFN-RCCKNPSSSA-N 416.477 4.578 50 40 HJGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(Cl)sc1Cl 14238752 LWPWNNDCQIGBAE-UHFFFAOYSA-N 412.323 4.562 50 40 HJGB Cn1ccnc1COc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1 40139608 OIPMANRPTPJWKY-HKWRFOASSA-N 408.461 4.698 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408996733 MWBWZGVFOLLSLB-MFKUBSTISA-N 412.449 4.919 50 40 HJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 1901404 MHCNKDSOWPDHTR-VULFUBBASA-N 422.912 4.782 50 40 HJGB CCCC[C@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12 2377060 ZIBOTBFOLPOYCJ-NSHDSACASA-N 401.688 4.500 50 40 HJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccco1 28350622 XNGXYBHBPGBWNQ-FMCGGJTJSA-N 424.913 4.573 50 40 HJGB Cc1ccccc1/N=C1\SCC(C)(C)N1C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 102930608 FTUPKYAKWDNGNU-YRSUKTSLSA-N 419.506 4.672 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(C)cc1 408885081 XCMGDYBDYWLPSB-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1C 408971052 GLMMLEKWNCZEHT-CVKSISIWSA-N 416.525 4.615 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 409379174 VHWIVNWNGOCLFF-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 1927106 XHTSFQCOZROTKC-DTQAZKPQSA-N 424.522 4.748 50 40 HJGB Cc1ccc(C(=O)NN(C(=O)c2ccc(C)cc2)c2nc3ccccc3s2)cc1 2442344 JYBJPMIVLSNIIL-UHFFFAOYSA-N 401.491 4.905 50 40 HJGB Cc1cc(SCC(=O)N/N=C/c2ccc(F)c(F)c2)c(C)cc1Br 3231879 IWSBXAOZTHWDIP-ODCIPOBUSA-N 413.287 4.587 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1 4922770 MKNFVPXOJZSSGE-OAQYLSRUSA-N 419.550 4.922 50 40 HJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccccc2)o1 27546707 JEFSTUCZARGCTR-JVWAILMASA-N 421.456 4.565 50 40 HJGB CCOc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408962794 VCDDYBDWUAYMDH-QRVIBDJDSA-N 407.426 4.508 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(F)cc3)o2)c(Br)c1 409234076 YRATXYLSJZCHHR-FSJBWODESA-N 415.262 4.849 50 40 HJGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 5175728 DBXYUJIKPHDUAT-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 5895346 UGNVKFPAXNLLEU-XFFZJAGNSA-N 406.623 4.556 50 40 HJGB Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 6971878 FHAUDLGYNLXKLA-LGJNPRDNSA-N 402.885 4.689 50 40 HJGB C/C(=N\NC(=O)CCSc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 59473216 NCLAQTYDJBRXKH-NLRVBDNBSA-N 417.534 4.962 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cccc(C)c1 59534091 JZFOBZHMQFUVMX-FYJGNVAPSA-N 416.477 4.789 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCCC 409066990 NDOOWYJQXGHQCE-LDADJPATSA-N 421.453 4.666 50 40 HJGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/C(=O)N(Cc2ccccc2)c2ccccc21 409113027 DFEMUOSHLQBXNJ-XDOYNYLZSA-N 413.864 4.803 50 40 HJGB CCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)c1 409320959 DAMLACKSHUEPID-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB CO[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 4401831 WTQXFJDRYHIRLE-BHSKHCGUSA-N 408.885 4.757 50 40 HJGB O=C(CSCc1ccc2ccccc2c1)N/N=C/c1cccc(Br)c1 408728255 YNMAHXFBCNTPRY-WSDLNYQXSA-N 413.340 4.986 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC#N 408765562 YRJGZILYDXHEOR-ATVHPVEESA-N 422.282 4.626 50 40 HJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 409124042 IVKMYYXGGOXPBL-QFIPXVFZSA-N 419.912 4.649 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 1091285 VQLAMVYFKHVPFD-LFYBBSHMSA-N 419.662 4.685 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc1OC 100911499 PJCMZTXKUWVORF-QNBNLKTOSA-N 413.477 4.706 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C(C)C)cc1 408965483 HQVZVCWHFZVABX-MZJWZYIUSA-N 402.473 4.992 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 657841 HECGFZUVXJYDKV-WGOQTCKBSA-N 418.493 4.745 50 40 HJGB O=C(N/N=C1/CC[C@H]2C[C@@H]1CC/C2=N\NC(=O)Nc1ccccc1)Nc1ccccc1 4529825 CPTMODILXKXYMH-LAPNUIOBSA-N 418.501 4.552 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 12375059 CGQUHBRZCYXSFG-AFPJDJCSSA-N 403.221 4.746 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 16488847 BADXRWNGVKYTLK-GPMSIDNRSA-N 418.806 4.528 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c1 34771770 RZVFGJKGXPXMDQ-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408787698 FBBNRQKAPGFCRP-UKTHLTGXSA-N 416.662 4.551 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 59117184 RIYBJDZFNSRIEJ-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB COc1ccc(/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 408581217 HQRJQMLXYYEXPI-XSFVSMFZSA-N 405.475 4.836 50 40 HJGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 408745032 JEEIACCWMNWYLY-STZFKDTASA-N 413.477 4.874 50 40 HJGB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Cl)C(=O)c1ccc([N+](=O)[O-])cc1 16035307 MGOUMLSLCUGQNN-CYBMUJFWSA-N 421.158 4.696 50 40 HJGB COC(=O)C1=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)SCC1 100363417 XQXSIBQTAHHZKC-UHFFFAOYSA-N 419.486 4.686 50 40 HJGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1 408855952 IDCQNSBGAQRAGO-XFXZXTDPSA-N 420.694 4.841 50 40 HJGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1cccc(Cl)c1 408952222 LMERBHBKVMDPLM-SOFYXZRVSA-N 421.476 4.614 50 40 HJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2c1 409011053 FQROKHPTPXPZKR-FOKLQQMPSA-N 403.265 4.928 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1 4482047 FOJJICUQYTWXSH-OJXVQKGHSA-N 406.526 4.941 50 40 HJGB Cn1c(/C(C#N)=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)nc2ccccc21 6210670 JUCAUKXMZZUTDA-KGENOOAVSA-N 416.488 4.944 50 40 HJGB Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 6345794 XOYIHKWPFWISQJ-BRJLIKDPSA-N 414.292 4.919 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1 6479476 CQNXOHQUHQKITQ-POHAHGRESA-N 410.065 4.659 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O 26841443 KOBXQHMEMVKMSO-LICLKQGHSA-N 405.479 4.855 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)cc1C 408949778 CENSBAWYXYLOKH-WDZFZDKYSA-N 424.092 4.967 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1 409191182 DAMHVEYHNITLRR-SDNWHVSQSA-N 406.825 4.932 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1Br 409369130 DFOHOESZTXWRJS-SRZZPIQSSA-N 400.276 4.522 50 40 HJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)cc1 1439489 XWCQAODMUMVJAD-NBVRZTHBSA-N 416.408 4.599 50 40 HJGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1 2353436 MEBRHIPJSSWGOT-GOSISDBHSA-N 411.914 4.568 50 40 HJGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@@H]2C(=O)OC)cc1 9089000 HQTDNIWHNSOFRB-VQTJNVASSA-N 422.506 4.597 50 40 HJGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cc2ccccc2nc1Cl 18194827 GMHICNRVJZGEMA-LSFURLLWSA-N 408.672 4.724 50 40 HJGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1cccc(Br)c1 96663208 OBKBEIKMHHLMCI-QPEQYQDCSA-N 405.679 4.965 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 409366540 VUDCICVRXBLVRO-FSJBWODESA-N 411.845 4.818 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1 3416093 QAXCRNLEFZLZEB-CIAFOILYSA-N 400.891 4.703 50 40 HJGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21 4739126 JHWULBUTLGKBQX-NTCAYCPXSA-N 404.267 4.583 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)c2sc3ccccc3c2Cl)cc1[N+](=O)[O-] 4859940 WXELYKBSHSMUIR-KEBDBYFISA-N 403.847 4.626 50 40 HJGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(/C)c1ccc(Br)cc1 6488990 MOQAKKMXXUEHLT-SLCIXIPPSA-N 408.727 4.833 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(C)c1 59266323 CQVKFMHEVHLLRK-STZFKDTASA-N 404.510 4.939 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)O 209488551 BOKJCZWOIBHXJI-LZYBPNLTSA-N 416.271 4.684 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)c(C)c1 216049237 NIBHYYFIACAODA-MUFRIFMGSA-N 420.516 4.871 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 408587377 FQCLPYPEPKACET-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408825418 AJJOOUOCTJQLLQ-WSDLNYQXSA-N 409.467 4.547 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)cc2O)cc1 408846211 PKVOWCIOOSLANU-QQXSKIMKSA-N 411.461 4.628 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccccc2)c1 9246804 ZBJJNDIUFHUOOG-OGLMXYFKSA-N 423.472 4.621 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(C)=O 33587659 RDTPODSLTSHQKY-FRKPEAEDSA-N 420.446 4.537 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 71411448 IMIBHXROYYMVGK-OAHLLOKOSA-N 401.274 4.786 50 40 HJGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2)cc1 408541736 FQEHGIMLIBXENI-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1C 408858599 UIINTERRLHRNNF-JJFYIABZSA-N 410.271 4.759 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 636920 NHQJZPAZZKQPEA-WSDLNYQXSA-N 409.467 4.547 50 40 HJGB COc1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 1801184 FNKYTZVTGSGUJB-HUUCEWRRSA-N 413.109 4.533 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccccc3)cc2)cc1 3080214 HZIAMCPGNCXVTK-MFKUBSTISA-N 404.535 4.958 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 3139365 GDFIZMWCVZDSQM-WVTGFCLKSA-N 411.461 4.932 50 40 HJGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 5739239 ONTHPVYETHAWLP-MIDUAYCOSA-N 402.281 4.803 50 40 HJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(OC)cc(OC)c3)ccc21 6713878 HXOQHAATAIIRAY-MFKUBSTISA-N 401.466 4.596 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1 408963699 AIDDOZSLGKTKSI-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB Cc1cc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 3234538 CFXQLSJQBLBPLQ-FOKLQQMPSA-N 414.824 4.559 50 40 HJGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 4360138 NOHJOFNJSWMABR-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 9202520 YFFVFAKZOSMRKB-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1 13596979 SVWPDCQJVONQRM-JJFYIABZSA-N 407.326 4.513 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3[N+](=O)[O-])c2C)c(C)c1 20195442 ZTLMPPSWUPIOFB-AFUMVMLFSA-N 418.497 4.620 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3oc(C)c(C)c3C#N)c2C)cc1 20197627 NVAOFOFJMCVQEI-VULFUBBASA-N 418.497 4.728 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)ccc1OCc1ccccc1 24567127 LKKGZJRFGORZQJ-CPNJWEJPSA-N 408.461 4.864 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC 59474917 HZEXPFSTMHYDQG-NVNXTCNLSA-N 415.287 4.629 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccc(N2CCCC2)cc1 408676084 FALGBUKPTKROKE-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)c1 408756310 PVXSDYWWXRXQQL-UXWOMARYSA-N 420.520 4.610 50 40 HJGB CCc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(Br)cc1 408854516 HEVHGOORLPCOSS-HMAPJEAMSA-N 411.303 4.958 50 40 HJGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)OCO2 409088966 MKPGTUSKEDUZII-LFYBBSHMSA-N 405.237 4.666 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 409273674 KVQYBTDXUUFVFY-DEDYPNTBSA-N 418.497 4.994 50 40 HJGB Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1[N+](=O)[O-] 2275923 WNJGFOPODRFAOD-FQEVSTJZSA-N 419.437 4.614 50 40 HJGB COc1ccc(OC)c(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1 20247342 RSMCSLKSXLJKFH-AFUMVMLFSA-N 418.518 4.657 50 40 HJGB COc1ccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 408719415 OKSDBFNWZWTGPP-CVKSISIWSA-N 421.884 4.755 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 408809129 IDDBUCHYTHKXHY-DHRITJCHSA-N 416.412 4.501 50 40 HJGB O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1602226 RECMEXFQKOOMMK-ZIAGYGMSSA-N 413.065 4.677 50 40 HJGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4263917 HQMSDOMLOXYRIC-LICLKQGHSA-N 406.463 4.678 50 40 HJGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 4863656 BQUFCNCSVYYMPE-CVKSISIWSA-N 421.472 4.700 50 40 HJGB N#CCCN(C(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 4906047 JZBLCLNZZNYTRP-ICFOKQHNSA-N 412.405 4.709 50 40 HJGB C/C(N)=C(\C#N)C(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1 7124039 WSJRUYKUKLJLHL-JXAWBTAJSA-N 408.914 4.610 50 40 HJGB CCOc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1[N+](=O)[O-] 19006362 ANHQCLUIIJUQIE-UHFFFAOYSA-N 404.637 4.711 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)ccc1OC 30968158 FNWJPZKNFMSREG-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB Cc1cccc(OCC(=O)N/N=C\c2cc(/N=N\c3ccccc3)ccc2O)c1C 102522238 KUFOKAILLAGMOJ-XWHSODHHSA-N 402.454 4.954 50 40 HJGB N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1 408743896 IAEDLXUBIIUAGF-WQLSENKSSA-N 406.077 4.757 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccccc2)c1 408806436 DXVJFEAGSVUSGC-CPNJWEJPSA-N 400.434 4.525 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c2C)c(C)c1 409184081 DZJABWHWEXUMFW-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 409319708 KRFZQHKDOYFLAF-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccccc1 409364670 OLDDPMGTLFBKHE-PKAZHMFMSA-N 416.521 4.974 50 40 HJGB CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 13372268 XKPVUKOSQFVFSP-LICLKQGHSA-N 414.442 4.906 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cc(Cl)cc(Cl)c1 28216978 STPAOPUDRZGAKE-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB O=C1CCC/C(=N/NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)C1 101917579 HVUOLQCMLIJSNQ-PLRJNAJWSA-N 403.507 4.756 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1Cl 408591809 VHSUQQUEASQIPH-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1O 408790344 VSXJZGVFWRWWAY-RIYZIHGNSA-N 403.265 4.982 50 40 HJGB O=C(CCCl)Nc1ccc(C(=O)CCc2cccc(NC(=O)CCCl)c2)cc1 1614281 YFEARGNYJJPLRV-UHFFFAOYSA-N 421.324 4.637 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 4712094 HTQKHYASDXEICV-ZVHZXABRSA-N 404.470 4.637 50 40 HJGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccco1 4743405 VUYPYKMQZKEHOD-OAQYLSRUSA-N 419.506 4.599 50 40 HJGB COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)c1OCc1ccc(C)cc1 32561917 KKRDQTDERLQZMT-JCMHNJIXSA-N 419.502 4.921 50 40 HJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 34861916 WDRXTGFDNHYGFI-PDGQHHTCSA-N 417.396 4.816 50 40 HJGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 260562560 AOMVLMYASIQATL-HUSFYUSLSA-N 408.502 4.859 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c1 409228251 WLMXXWKKNQEEJY-IZQLPPHKSA-N 414.461 4.826 50 40 HJGB COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 715082 YYOCKUGSALPGPH-JOCHJYFZSA-N 419.912 4.962 50 40 HJGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Br)s1 1445110 ZPXGMGGQZWHSPY-ZICWZVMQSA-N 403.301 4.581 50 40 HJGB CCCOc1ccccc1/C=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl 2070022 HRXQZIAULSLDQI-LSHDLFTRSA-N 415.704 4.965 50 40 HJGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)c1 20243825 NPLWZQURWWGDTR-SSDVNMTOSA-N 404.352 4.970 50 40 HJGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C 208212547 MHROUEDRDLSKOP-UOKWBDCBSA-N 413.949 4.900 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408819751 RRJGKAZKFMYPBC-WDZFZDKYSA-N 409.642 4.796 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1 409195468 UZQVRIKMDDWHIL-LFIBNONCSA-N 420.852 4.610 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc(Cl)cc1 409223568 ILEYVMQHMPEHPJ-JJFYIABZSA-N 403.221 4.570 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1C 664747 JLOZWOKLORQRBD-KRWDZBQOSA-N 410.399 4.931 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 4457596 RCKWFNJQZHICRV-ICUDKFICSA-N 407.558 4.790 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1COc2ccccc2O1 9272668 PKQDPALVYGUQAV-LMYHHNOQSA-N 417.248 4.544 50 40 HJGB COc1ccc(/C=C(/C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1Cn1nc(C)cc1C 32577653 GHCWUBJCXRNVOQ-NDENLUEZSA-N 422.573 4.795 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1Cl 59333491 MRKHZJVYDFVSAT-SXGWCWSVSA-N 419.308 4.966 50 40 HJGB Cn1c(/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)nc2ccccc21 97990626 JUCAUKXMZZUTDA-STZFKDTASA-N 416.488 4.944 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 408817292 VVMKNFYRUBBAJO-DEDYPNTBSA-N 419.912 4.980 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3[N+](=O)[O-])n2)c1 4818912 RBHHZXKVILSCPM-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)c(C)c1 8968834 PRKDMVARMLESRZ-LJQANCHMSA-N 419.550 4.631 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1 408960341 KZXXOHOYMRIXRQ-UYRXBGFRSA-N 416.408 4.649 50 40 HJGB CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl)OCO2 409100183 VJHFPQCXHFOIMV-LFYBBSHMSA-N 405.237 4.666 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409343860 IBARGROCWTYQSO-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(Br)c(C)c(Br)c2)n1 409370276 OAPANFNRBOAILZ-WLRTZDKTSA-N 423.108 4.581 50 40 HJGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O1 706060 FAVPWIOAYOWVSE-IBGZPJMESA-N 414.383 4.530 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)c(C)c1 1206367 STLZVGSRQILODH-KGENOOAVSA-N 413.477 4.735 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3090063 VMFFZAUPLYFGAV-ZVHZXABRSA-N 424.909 4.802 50 40 HJGB CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)CC1 26688403 OYCDWPSIBARCKW-JXAWBTAJSA-N 402.523 4.766 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 59503579 BDZGYDHUIBOVMP-UFWORHAWSA-N 402.075 4.528 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc(Br)c1 59505796 NRMDFHFCHOMUTB-UDWIEESQSA-N 401.285 4.957 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1F 59922084 QUSDZVCUGHYARQ-DHRITJCHSA-N 412.848 4.831 50 40 HJGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 101230948 OWVMFKNCIPITDD-GZTJUZNOSA-N 412.367 4.744 50 40 HJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408746197 CCTGYXUOLVTEBD-PTNGSMBKSA-N 413.271 4.568 50 40 HJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 409016850 WCJZTZQZBGIUCI-OEAKJJBVSA-N 423.494 4.779 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1 409233098 KDQNTSBDTWVTTM-RGEXLXHISA-N 415.449 4.819 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1 33657736 CJUKRAWBBVPTTE-BKUYFWCQSA-N 413.477 4.900 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 408752643 IXUIEMIMIQSQSM-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408795512 VPKSRZYWZMYWOL-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408866406 HFGDGOOSPTUXFN-CPELGESMSA-N 400.862 4.575 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O3)cc1 803808 RWZDTBWLYXBUPQ-SFHVURJKSA-N 410.449 4.507 50 40 HJGB O=C1C=CC=C/C1=C1/N=C(c2ccccc2OCC(=O)c2ccccc2)SS1 1650179 KGTSUOHVDSEKTR-LTGZKZEYSA-N 405.500 4.997 50 40 HJGB O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Br)c1 1771464 LHFBZFRGCFRIAR-UHFFFAOYSA-N 408.708 4.983 50 40 HJGB COc1ccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c(C(C)=O)c1 2561319 TTZXVEBXFMBXSW-UHFFFAOYSA-N 409.447 4.609 50 40 HJGB CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 18136677 KNCIHBWPEYXWCT-FQEVSTJZSA-N 420.900 4.813 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)c1 36056551 KHWFGGNORPUQMU-NSIKDUERSA-N 409.423 4.505 50 40 HJGB N#C/C(C(=O)NC1CCCCC1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 165273086 GTKBRFWFIJWOCA-LSDHQDQOSA-N 419.912 4.613 50 40 HJGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1 664291 KCMNTSNAUQZSIK-FQEVSTJZSA-N 402.523 4.791 50 40 HJGB Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1 898801 SFCGHGKUOBIPDH-IBGZPJMESA-N 407.901 4.956 50 40 HJGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1 2756447 ILGWBEHODYTNIQ-DHRITJCHSA-N 412.383 4.866 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 2768967 OSDUTAAAZFIDNQ-XQNSMLJCSA-N 412.489 4.540 50 40 HJGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(CC)s2)cc(OCC)c1OCC 4155869 DGINGVHFSWTCKU-HYARGMPZSA-N 404.532 4.661 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1 4922778 OMPDVDHJKAWWPU-OAQYLSRUSA-N 419.550 4.867 50 40 HJGB COc1ccc(/C=N/NC(=O)NC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100490104 MOVNTYYLLQTUBL-GEPOBASISA-N 417.553 4.927 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1Cl 209280070 MHMMVQBBSYHMIT-PDGQHHTCSA-N 410.901 4.893 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408744599 MFRNLTBEFLGLTB-QPEQYQDCSA-N 405.679 4.965 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 408754901 SOCFNOQXDGNMNA-UFWORHAWSA-N 402.075 4.528 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408788573 LHHBLTCIRIVRCZ-OQLLNIDSSA-N 415.276 4.950 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)c1 408852190 CYADBJKBCKJKAP-CFRMEGHHSA-N 402.406 4.552 50 40 HJGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl 9693310 BUIJXJVAQMCVCE-AWEZNQCLSA-N 417.868 4.838 50 40 HJGB Cc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccncc2)cc1C 13893138 JUMJXMIODVHCBF-CVKSISIWSA-N 423.900 4.574 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C#N)cc2)cc1 20197800 ZOOCPCJCOKRHBK-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 408837551 INGGHNWZMYVLKI-ZVHZXABRSA-N 403.438 4.555 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(F)cc1 408854515 HEVDPGMCFLLUOL-DHRITJCHSA-N 421.428 4.694 50 40 HJGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 408996747 MYDLJKCUEHFGDZ-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB COc1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 1801188 FNKYTZVTGSGUJB-LSDHHAIUSA-N 413.109 4.533 50 40 HJGB C/C(=N\NC(=O)[C@@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 5793134 ZISJBMAALUZZHK-UMYHVIPVSA-N 408.727 4.752 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1 59335185 SZRBXJIMTJBDNH-NDENLUEZSA-N 412.445 4.848 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C 408587257 FAMVCABAKPICCK-FSJBWODESA-N 410.861 4.728 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1[N+](=O)[O-] 408599533 VUXYTYNNYPMFDX-DHRITJCHSA-N 416.412 4.501 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl 408825072 ACCPVVBJHDFMHQ-NTUHNPAUSA-N 421.280 4.955 50 40 HJGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409072125 IHZUIXXIAUGKTL-XSFVSMFZSA-N 405.475 4.836 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 4646738 WBORKBCEWXYDQS-FWOCFWLASA-N 403.507 4.644 50 40 HJGB CCCCCCCC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1 103740856 ADEIUCJQEYRBQW-HAVVHWLPSA-N 416.543 4.573 50 40 HJGB CSc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1 408761133 IEGHQDFIZGEQJE-RAXLEYEMSA-N 420.275 4.559 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1O 408799516 ZKDHSNUFDMDNBN-KPKJPENVSA-N 421.678 4.752 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 408927086 ZNHOQHDFZKXGPV-GZTJUZNOSA-N 404.401 4.687 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409161237 LFYMCTYSXROLJI-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1 705864 IPACQYXRULMJML-KRWDZBQOSA-N 415.276 4.775 50 40 HJGB O=c1[nH]c(SC[C@H](Cl)CSc2ccccc2)nc2sc3c(c12)CCC3 7425221 VLFLVPADINIHHK-LLVKDONJSA-N 409.001 4.965 50 40 HJGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 33334331 RCYSCGAQOWEWDJ-MXAYSNPKSA-N 415.449 4.611 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C/C(Br)=C/c1ccccc1 44950412 QGDKCTCNBZTIQM-IRVJDQMQSA-N 408.299 4.790 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCCc1ccccc1 97990530 USANXWVNLWPQLI-SILNSSARSA-N 424.529 4.867 50 40 HJGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 408708360 PJLHWXSIBOKKKR-DHRITJCHSA-N 424.863 4.620 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 408830410 RPXDNCZTUFXHDB-ZVHZXABRSA-N 403.438 4.555 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)oc12 408970836 LBHVDBPTOKKSJR-FSJBWODESA-N 419.393 4.682 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2)cc1 705813 AYEBSRLYSIYZEJ-JOCHJYFZSA-N 422.440 4.590 50 40 HJGB O=C(NNc1ccc(F)cc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2309119 XWKFWLHQSGKQMT-UHFFFAOYSA-N 405.256 4.512 50 40 HJGB C[C@@H](NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1)c1ccccc1 4036727 NCEFWYGCAXBQQH-WQVCFCJDSA-N 411.137 4.764 50 40 HJGB N#C/C(=C/C=C/c1ccccc1)C(=O)N/C=N/OCc1ccc(Cl)cc1Cl 5278459 MPBZMTLFVSSWMK-QSJINSDNSA-N 400.265 4.733 50 40 HJGB O=C(Cl)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887746 AOVYDNIOGFFTSU-SNVBAGLBSA-N 409.656 4.920 50 40 HJGB Cc1ccc2nc(/C(C#N)=C\c3c(C)c(C#N)c4nc5ccccc5n4c3O)[nH]c2c1 100164245 UPRNHAJWZQNDHK-GDNBJRDFSA-N 404.433 4.622 50 40 HJGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 408950916 GTUGQPUSZLCWAB-YDZHTSKRSA-N 401.297 4.614 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 3326189 YPCWQIPETGURPM-QJKHOBJASA-N 418.324 4.603 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(N)=S 33470467 SBHNEBXRKGQGBB-NTUHNPAUSA-N 407.720 4.875 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl 2207222 REENTOHJNKFKQC-AFUMVMLFSA-N 418.884 4.760 50 40 HJGB CCCCCCNC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 3383791 LBDASPUZYWDLFV-UHFFFAOYSA-N 406.555 4.591 50 40 HJGB N#CC1=C(SCc2ccccc2)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc2c(c1)OCO2 6499196 ULRKMVSWNYQFTE-DHIUTWEWSA-N 416.502 4.991 50 40 HJGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 6968844 CPOZCMBNHOONKC-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB COc1cccc([C@H]2C(C#N)=C(N)Oc3cc4ccc(Br)cc4cc32)c1 8781873 OARPBXHWWYPLOT-HXUWFJFHSA-N 407.267 4.829 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC 215588400 WMZGBSMJSALAQI-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1 408755883 PVAPSXGHRJTURJ-AFUMVMLFSA-N 409.917 4.839 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1C 409178383 LWRXKPKWWAFXFB-MUFRIFMGSA-N 420.516 4.871 50 40 HJGB CCO[P@](=O)(c1ccccc1)c1nc(-c2ccccc2C)oc1N1CCCCC1 2300447 ICZRLNDEQSDKSO-GDLZYMKVSA-N 410.454 4.906 50 40 HJGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 3195071 RLGULENBDNPZNJ-QVWJKXSPSA-N 419.868 4.705 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)Cc1cccc2ccccc12 4616182 CYJRMBANKCYOTJ-WGOQTCKBSA-N 407.901 4.865 50 40 HJGB O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 4696822 ZJJJAGZKVAUIHG-MHNMZZBNSA-N 411.461 4.716 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1ccc(N2CCCC2)cc1 7385659 XYTYCZXMXVTLOK-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 33644247 QXLFFBZYQUJOEK-PTNGSMBKSA-N 414.303 4.547 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 59334936 LPRRUOIWBHUKHO-DHDCSXOGSA-N 419.706 4.677 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 408528762 IEEGHVZNTNJDHA-LGJNPRDNSA-N 408.933 4.927 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408570795 YQBUVMZKFMDFFK-PDGQHHTCSA-N 401.441 4.905 50 40 HJGB O=C(N/N=C/c1ccccc1Br)c1cc2cc(Br)ccc2o1 695410 UAYAWCWWJLDBMY-DJKKODMXSA-N 422.076 4.722 50 40 HJGB CCCOc1ccccc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1 2741599 UHTZKGXLIGMFML-CIAFOILYSA-N 401.260 4.748 50 40 HJGB Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1COc1ccc(F)cc1 5408939 OZXYJFHEJVXWPG-JOCHJYFZSA-N 418.472 4.580 50 40 HJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccccc1F 33382549 PVPLTOKPSOIQEN-WZUFQYTHSA-N 410.626 4.769 50 40 HJGB Cc1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2 229911850 PCNNYBRPMHVQJI-UTMQZLOVSA-N 418.902 4.654 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 408725388 OKURVZNHCINUIY-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC#N 408792230 JTHHGJTVUCIOKG-RIYZIHGNSA-N 416.264 4.840 50 40 HJGB Cc1ccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409096815 LCOALPAZEUHEFR-XMMPIXPASA-N 412.445 4.521 50 40 HJGB COc1cc(C)c2c(c1)CCC/C2=N\NC(=O)CSc1cccc2cccnc12 705400 ZCMXSNJUJDZTLZ-NCELDCMTSA-N 405.523 4.501 50 40 HJGB N#C/C(=C\c1cc(Br)c(I)o1)c1ccccc1 4546940 ONCYCHDYDVDHFO-UXBLZVDNSA-N 400.013 4.711 50 40 HJGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1 4866916 KHRMVZDQECOCPS-IQDSXZQASA-N 404.510 4.886 50 40 HJGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408609379 ZXZPHOYYGLEHPF-IBGZPJMESA-N 410.543 4.538 50 40 HJGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 408950527 GBBWMPSJPPDFTM-YDZHTSKRSA-N 401.297 4.614 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 409073472 NKIQPGNQBKCTRJ-QGOAFFKASA-N 406.869 4.635 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(O)cc1 409379602 YJMGQCXVELNBLQ-LCYFTJDESA-N 408.797 4.549 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1 409392245 OJRYJFUERPJFET-LSHDLFTRSA-N 405.237 4.732 50 40 HJGB ClCCN1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 17090462 BSYYPVVDNKKUFJ-UHFFFAOYSA-N 415.975 4.646 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OC(C)=O 31904635 RDTPODSLTSHQKY-APSNUPSMSA-N 420.446 4.537 50 40 HJGB Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408872697 OIHAAXUQRVTADV-SSDVNMTOSA-N 411.918 4.529 50 40 HJGB C[C@@H]1C(=O)C(C#N)=C[C@]2(c3ccccc3)c3nc(Nc4ccccc4)ncc3CC[C@@H]12 1772820607 BCWIIGSNDGENBB-VAQYAFAPSA-N 406.489 4.737 50 40 HJGB CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1 4699357 UDVRUWBHJOLTIP-ZHZULCJRSA-N 401.418 4.774 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 8426861 XDCPLVIROCCWLT-AUEPDCJTSA-N 420.683 4.889 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C)cc1 15012895 GNADJRCHKSHTPS-STZFKDTASA-N 404.510 4.939 50 40 HJGB COc1cc(/C=N/NC(=O)CCSc2ccccc2)ccc1OCc1ccccc1 59473780 JFHIUDVMBKPSDM-KOEQRZSOSA-N 420.534 4.907 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1 408599628 XUNNSRVWNRXBIN-ZVHZXABRSA-N 421.453 4.925 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl 408799299 KFBXNAUEGDDIIZ-SFQUDFHCSA-N 412.873 4.851 50 40 HJGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 1681029 YOQVUEDUVMFEKP-BPYXDGQXSA-N 404.084 4.967 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cncc(Br)c1 2335406 OWZFVAHFVCEROD-UFFVCSGVSA-N 404.651 4.521 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2c[nH]c3ccccc23)c(C)n1CCC(C)C 3393607 HIQKWCVRJGCHQO-UDWIEESQSA-N 417.509 4.965 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(C)C)cc1 20197858 BOXWKWSDBQHYPD-LPYMAVHISA-N 419.319 4.789 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1)c1cccs1 58895671 BDABEFCOYNXRHA-WYMPLXKRSA-N 417.412 4.783 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccc(Cl)cc1Cl 58917670 CTXAPTIPTMKDQB-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12 408598493 BNMSSPLXOPEZBE-MFKUBSTISA-N 412.449 4.919 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c1C 408743633 HKIQXTPSSRAARZ-LGMDPLHJSA-N 400.434 4.896 50 40 HJGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 408773960 NGSUTIUJKIBQSJ-MNDPQUGUSA-N 417.896 4.856 50 40 HJGB COc1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1801182 DUNAJVOEXVYUKJ-GJZGRUSLSA-N 413.109 4.533 50 40 HJGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1 1835905 VJPGESLVNMAVJV-NTCAYCPXSA-N 421.478 4.590 50 40 HJGB Cn1c(-c2ccccc2)cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1Cl 3074938 SZXMYSNBAQKVIZ-AFUMVMLFSA-N 403.869 4.968 50 40 HJGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 59152458 CGSFGYYRTNYGNS-JVWAILMASA-N 424.456 4.881 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(OC)cc3)cc2C(C)=CC1(C)C 208525162 RLJWNXXSHNRZQP-YSMPRRRNSA-N 421.541 4.555 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408885775 AMVBPYAODZFGMN-SSDVNMTOSA-N 411.870 4.984 50 40 HJGB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1C 408946802 BCMDZSLUCHMKCX-QNGOZBTKSA-N 408.505 4.841 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(F)c1 408965810 IUCBJTBBNPJJOB-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409242086 QDMQDQQOPUHALZ-JPOGYNCRSA-N 414.465 4.787 50 40 HJGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1 409369443 NRPKTABZXOYWNQ-FQEVSTJZSA-N 409.461 4.591 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 2768221 DQALGJIJWPEQJM-PTGBLXJZSA-N 418.500 4.805 50 40 HJGB N#CC(C(=O)COC(=O)c1sc2ccccc2c1Cl)=C1Nc2ccccc2N1 6147392 ODZAESGWIMCIEO-UHFFFAOYSA-N 409.854 4.553 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1F 28217419 YTPQRNJCIRPAPX-FSJBWODESA-N 414.278 4.760 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccn2)c1C 33618625 NUDJMLVMIOUYCA-JFLMPSFJSA-N 412.493 4.723 50 40 HJGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccccc1)C2 38187248 BHWDMMMVQINSJF-CFRMEGHHSA-N 420.310 4.733 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cccc1[N+](=O)[O-] 59447302 MTOOTNDNHNNNHY-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408724671 GSHAOHAMOIXAHI-NMOJOYGASA-N 401.850 4.785 50 40 HJGB N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408878221 YKBVWALPJUFXEX-CPNJWEJPSA-N 401.397 4.870 50 40 HJGB O=C(Cc1cccs1)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 409194958 NQKORGVBJCLYEW-FSJBWODESA-N 402.878 4.812 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCC 409227113 OXCRAPYDRQLBOQ-CEZZIEKDSA-N 404.510 4.997 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccccc1F 781375 QBBDIJALRKJBIH-XDHOZWIPSA-N 420.440 4.620 50 40 HJGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(F)cc1 2807684 MVLKVZIOZJWJKR-WYMPLXKRSA-N 422.485 4.617 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(F)(F)C(F)(F)C(F)(F)F 14396128 UOCSXUOCPAKZPZ-VAPIAZESSA-N 416.680 4.883 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)cc1 20194886 CNJZPDYLKCFHCO-WGOQTCKBSA-N 403.526 4.802 50 40 HJGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1 33410098 LFIIGDPHRGMMDH-WJDWOHSUSA-N 416.262 4.960 50 40 HJGB CC(C)(C)c1cc(CCC(=O)NNC(=O)Nc2ccccc2)cc(C(C)(C)C)c1O 3199329 KOQQSLJODBAZGB-UHFFFAOYSA-N 411.546 4.773 50 40 HJGB CCc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Br)cc1 4416316 WAOSSRDZMPDRCI-CIAFOILYSA-N 409.711 4.584 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OC(=O)c1cccs1 5070227 MMMYZGOBTYTGTL-FOWTUZBSSA-N 415.474 4.927 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 9096363 QMDZGLQDSFSNRZ-CJNXQAJWSA-N 410.521 4.838 50 40 HJGB N#CC1=C2SC[C@@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@H]1c1cccc(Cl)c1 12276158 FVOPLCVDGOADKO-OXJNMPFZSA-N 417.317 4.637 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3C#N)c2)cc1 20197888 APEZBHVFZFLMNT-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 213145894 VJZWBLJKMKZEIV-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409367978 KYBYBRJPTQYYPM-HXUWFJFHSA-N 407.539 4.617 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 1001376 WBORKBCEWXYDQS-GILQPYTJSA-N 403.507 4.644 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1OC 3335480 HSMXOYRLXHSOOE-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1C#N 4893949 KUTKNDHKOGIFTR-BKUYFWCQSA-N 415.493 4.502 50 40 HJGB O=[N+]([O-])c1ccc(/C=C/[PH](c2ccccc2)(c2ccccc2)c2ccccc2)o1 104198741 PGVMJMAEXLYXJB-VHEBQXMUSA-N 401.402 4.885 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)oc12 208438724 TXVDPUVBVHSDMQ-AFUMVMLFSA-N 403.482 4.837 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408591917 WKGRYWMZGUISAN-BLTFUYFMSA-N 416.308 4.585 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(I)cc1 408984287 IPBDIEIHPXFANE-LCYFTJDESA-N 422.653 4.799 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 409190244 QOOQFBVRAMWPFH-YVLHZVERSA-N 412.873 4.525 50 40 HJGB COc1cc([C@@H]2C(C#N)=C(SC)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 5026735 CSCDMFHTYBHFNW-GOSISDBHSA-N 414.527 4.981 50 40 HJGB COc1ccc(OC)c([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6781470 YNZLOVKLANRPRD-YBOAYWMSSA-N 416.525 4.570 50 40 HJGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1cccs1 8660979 RLUHMLKJXXQZBM-KRWDZBQOSA-N 419.531 4.612 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)o1 14407570 RZEFIOCMCIQOGT-WSDLNYQXSA-N 413.271 4.693 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccc(F)c(F)c2)c(C)n1CC(C)C 14897477 MESYCWWIHGFJNK-LEKRSAHOSA-N 414.452 4.761 50 40 HJGB Cc1cccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c1 32114441 MGCPWXRCUZSOKA-QFEZKATASA-N 408.885 4.757 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408570195 SQZSNNXMGSUADI-LPYMAVHISA-N 400.569 4.818 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc(N)c1C#N 408723817 RDFLFPLURFTTFF-LIMNOBDPSA-N 419.293 4.841 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)c1 408746237 CTJDJVUSWAGXSF-BOPFTXTBSA-N 420.852 4.610 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccccc1 409219218 OLNYZJBRPQEPOZ-CFRMEGHHSA-N 413.260 4.977 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409242085 QDMQDQQOPUHALZ-AQRZYSDFSA-N 414.465 4.787 50 40 HJGB O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409387967 SMPRNTUWBJVPGW-MZJWZYIUSA-N 422.960 4.715 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 1063957 CGQUHBRZCYXSFG-LSFURLLWSA-N 403.221 4.746 50 40 HJGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)cs1 1085494 UXVCFFNULFGYLC-HMASQMOLSA-N 403.301 4.581 50 40 HJGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(-c2ccccc2)cc1 4680491 LOYZUOQIJTZEJU-OVVQPSECSA-N 415.493 4.805 50 40 HJGB C/C(=N\NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N)c1ccc2c(c1)OCO2 6955058 UURHHSYTKKTYSQ-FOKLQQMPSA-N 413.886 4.533 50 40 HJGB CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 33334329 DGMIUSQLLUWICT-NHDPSOOVSA-N 401.260 4.746 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1 96469315 COSCQQJXVLJZKS-WJDWOHSUSA-N 405.841 4.683 50 40 HJGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 408886055 HNGPSYQTVDFLPD-LFYBBSHMSA-N 419.662 4.685 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1O[C@@H](C)CC 409240833 QCIMGMIGXJOQMF-ARCFYCQJSA-N 406.885 4.748 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OCC 409334511 SIJPRUKNCDSHBY-JJFYIABZSA-N 411.285 4.650 50 40 HJGB O=C(CCl)Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2 1224375 FVLKSSBDVCJXDK-UHFFFAOYSA-N 412.736 4.798 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 4694958 CFIPCOZYGZMCHQ-XDJHFCHBSA-N 423.509 4.921 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1 4705346 IQJCMKYSCJFCAP-FYJGNVAPSA-N 412.445 4.818 50 40 HJGB Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1Cl 25703379 IMZSDIFWVOYVLA-LRNAUUFOSA-N 412.491 4.695 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1F 209280204 GTKSFJYIMVXTDQ-UYRXBGFRSA-N 408.473 4.769 50 40 HJGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccccc1 408996955 KRTFRXLZADKZIF-UDWIEESQSA-N 401.285 4.957 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 409063320 KNNOESZMGBMLCA-BRJLIKDPSA-N 401.388 4.582 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCCCc2ccccc2)o1 409220561 BNCUPUBLFXDCFM-XDJHFCHBSA-N 415.449 4.819 50 40 HJGB C/C(=N\NC(=O)c1ccc(I)cc1)c1cccc2ccccc12 10118515 YUAZEKWWQUBHFP-FYJGNVAPSA-N 414.246 4.598 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1Cl 48508631 PVTLWQXNARNRDF-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCCCCCCCC(=O)N1CCC[C@@H](C(=O)N/N=C2\C=C(O)CC(C)(C)C2)C1 102034686 CSJITJQIPAVLND-VUSLFOADSA-N 405.583 4.710 50 40 HJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1nc2ccc(F)cc2[nH]1 408568561 KLKFFNCPHHLEJP-ATVHPVEESA-N 412.424 4.784 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)ccc1Cl 408725246 KFTSWPSFONXYJM-COXOIUSXSA-N 414.889 4.663 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCC 408727488 ZRBGKPJIKQEJEU-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2)cc1 408757285 XYDRBNXLMHFYEH-HKWRFOASSA-N 410.429 4.654 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccco1 408759955 OVSDSPJXZUSOFF-SSDVNMTOSA-N 403.221 4.570 50 40 HJGB Cc1cccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 409092849 ZSRJEWFUCLPHGH-DEOSSOPVSA-N 412.445 4.521 50 40 HJGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1)c1ccc(Cl)cc1 409219319 LFBAOHLHFGDLDY-JJFYIABZSA-N 403.221 4.570 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c(O)c1 409392191 NVDOIYPFOVZRRT-WYMPLXKRSA-N 411.889 4.534 50 40 HJGB COc1cccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1 2433504 ATMFMYCNNLMZSA-SFHVURJKSA-N 411.914 4.568 50 40 HJGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccccc1Br 6684485 ZTTGERNTTITTIY-OEAKJJBVSA-N 409.283 4.645 50 40 HJGB Cc1c(C(=O)NNC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)oc2ccccc12 40068879 FUAGLLPOQQTVNF-IBGZPJMESA-N 423.469 4.675 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(OC)c2)cc1 408726084 OWVWMENCAZVHJL-DHDCSXOGSA-N 415.287 4.574 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)nc1 409210143 FBEDEYBRVFJJCP-WYMPLXKRSA-N 412.946 4.693 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409242613 WZUGAWGKGAGPGF-UEIJICEPSA-N 400.434 4.738 50 40 HJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1 2270865 ZZQDIJHXWYBFRI-NTCAYCPXSA-N 406.825 4.932 50 40 HJGB O=S(=O)(O[C@H](c1ccc(Br)cc1)C(Cl)Cl)c1ccccc1 3214620 DFVJWHYMWZVZAM-CYBMUJFWSA-N 410.116 4.699 50 40 HJGB C/C(=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc([N+](=O)[O-])cc1 5033657 UQQZFVFKECIFCB-QQXSKIMKSA-N 410.433 4.964 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(Br)c1 5603453 BIWUTMAQYBYZKA-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 33387519 HEZDVSNOBMOKKE-NSSVPSLESA-N 411.549 4.989 50 40 HJGB Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 58886662 WWPMBZDFSTZYNO-BHSKHCGUSA-N 409.917 4.711 50 40 HJGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1cccc2ccccc12 104348789 UKSWDODCAUUUNV-XYGWBWBKSA-N 414.336 4.888 50 40 HJGB CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 107673773 UPTQSKJRGZLZKT-LDADJPATSA-N 413.315 4.851 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl 408733821 ALVJIGMPIPGZNG-WUXMJOGZSA-N 420.650 4.865 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4505187 KCEJBDYIHJNRJB-MGPOACGJSA-N 409.486 4.545 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1 5219718 IRSYATOQRIIXIA-FQEVSTJZSA-N 400.482 4.817 50 40 HJGB O=C(N/N=C\c1c(Cl)cccc1Cl)N/N=C\c1c(Cl)cccc1Cl 8642156 WJMPEDBFVZXTPW-MESHQIMYSA-N 404.084 4.967 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1 408724850 MEDRMQMBBRNDGS-YZSQISJMSA-N 410.477 4.620 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 408859804 ZSFSZTIMOQGTRG-NVMNQCDNSA-N 422.444 4.962 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)cc1 408990313 KLGDISWWKQQFPE-SFQUDFHCSA-N 416.462 4.995 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OC 409311799 IHIHZIDWTPMFRK-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1cccnc1 9846806 SFAVYNFNJBITMN-OBMCKAMCSA-N 424.258 4.729 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 59921224 XNMSEFQZFSFKSJ-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)c1cc2ccccc2o1 408953550 WPWMOJZWHRNPES-XKZIYDEJSA-N 408.255 4.750 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1 409186971 KIXUCYNTLIZEHS-JFLMPSFJSA-N 418.541 4.672 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(OC(C)C)c1 409390535 DZZPLDGQFUDIHS-JFLMPSFJSA-N 419.525 4.976 50 40 HJGB N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1454161 KSWKDHPJNUFQHH-UKTHLTGXSA-N 414.284 4.635 50 40 HJGB O=C(N/N=C/c1ccccc1Br)c1ccccc1OCc1ccccc1 3663724 GNUYQKJMQQIATC-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 4318505 DXHPKHWZVYXGKL-XDHOZWIPSA-N 417.490 4.928 50 40 HJGB CC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 5414540 WTCOEIUVIQGCSF-ZNTNEXAZSA-N 403.438 4.571 50 40 HJGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3O)cc2[N+](=O)[O-])cc1 6814850 MNSWYAXOJVMXHZ-LPYMAVHISA-N 407.451 4.524 50 40 HJGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c2C)c1 20243828 GCSQVRGGPQEUDH-SSDVNMTOSA-N 404.352 4.970 50 40 HJGB COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 33851154 JUVATPPZEIQMEI-QQXSKIMKSA-N 411.461 4.683 50 40 HJGB N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2[nH]1 51103098 YDZHYJOIIUAVOF-MOSHPQCFSA-N 402.461 4.934 50 40 HJGB O=C(CSCc1cccc(Br)c1)N/N=C/c1c(F)cccc1Cl 58915690 AMQRTMGOOQBGFX-DNTJNYDQSA-N 415.715 4.625 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc2c(c1)OCO2 59920766 YQBXWAQXBALDCA-JFLMPSFJSA-N 424.456 4.911 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 408719508 QXFXGJDVLQHWKF-SRZZPIQSSA-N 421.360 4.620 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)NCc1ccccc1 408766954 XSOUNWWWMGZEMK-DEDYPNTBSA-N 416.864 4.783 50 40 HJGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(OC)cc3)cc2)cc1 1883974 CRGIKASIJQLVMM-UHFFFAOYSA-N 418.493 4.616 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccccc1C 4904571 SPHGELLVKSOZIN-BRJLIKDPSA-N 411.811 4.802 50 40 HJGB COC(=O)c1cc(NNC(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F 1634533302 QQMDUIBNVROWAW-QFIPXVFZSA-N 419.456 4.593 50 40 HJGB COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3c(C)[nH]c4ccccc34)c2c1 871120 ZTXDYACGLMPGFV-WYMPLXKRSA-N 418.522 4.584 50 40 HJGB CCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3cc(Cl)cc(Cl)c3)[nH]n2)cc1 4677668 UWBMBHUFXGAOQW-FMCGGJTJSA-N 417.296 4.936 50 40 HJGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1C 19818075 FUTSXQQQWXBJQB-LQKURTRISA-N 411.549 4.934 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 408759650 ISNWLOSORNDYQM-NTCAYCPXSA-N 403.394 4.718 50 40 HJGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cccc(Br)c2)o1 409234456 WUWTZWHKDNBDND-UUYOSTAYSA-N 401.235 4.541 50 40 HJGB CCCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c1 409320751 CHDNCTSRGWNBLH-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C 1003401 RTLDHUZZFYWKQK-VULFUBBASA-N 411.509 4.807 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 4457598 RCKWFNJQZHICRV-RHDPFBJKSA-N 407.558 4.790 50 40 HJGB COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc4c(C)cc(C)cc4c(=O)[nH]3)cc2c1 6694236 NFDVMNKTBYDBFQ-CXUHLZMHSA-N 416.868 4.814 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(C)cc1 59334889 JQQLYHLSRSXGQP-HMAPJEAMSA-N 404.510 4.696 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ncc([N+](=O)[O-])cc3C)o2)c1 408743726 XRVGBWZKPDGYAY-GDNBJRDFSA-N 418.409 4.503 50 40 HJGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 408840261 CZCYEBICGVLXGQ-KOEQRZSOSA-N 403.507 4.571 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 4705385 JFPSYMPTVWRTDM-RGEXLXHISA-N 401.466 4.744 50 40 HJGB COc1ccc(Cl)c2sc(NNC(=O)CCSc3ccc(F)cc3)nc12 5256723 WUWWAQMDQRNSDQ-UHFFFAOYSA-N 411.911 4.723 50 40 HJGB CNc1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1 8397292 CCQIQGXVQVCHEG-UHFFFAOYSA-N 408.825 4.676 50 40 HJGB aggregator C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 13300912 OLLUDIPFMKDQPP-CIAFOILYSA-N 410.257 4.601 50 40 HJGB COc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1OCc1ccccc1 33417828 XXRSOIVSMPVZMQ-KQWNVCNZSA-N 412.489 4.540 50 40 HJGB O=C(c1cccs1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 96021451 HZCLDLYHKDRQII-NEPJUHHUSA-N 419.094 4.739 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408797649 SINVJVVJSQIZEF-OQKWZONESA-N 408.457 4.823 50 40 HJGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1cc2c3ccccc3n(C)c2s1 5858293 MICRXKQJVHCKAQ-ZVHZXABRSA-N 419.506 4.860 50 40 HJGB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Br)CS1 36625076 RUKCUTKHFJNCQW-OCCSQVGLSA-N 407.358 4.533 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 408781096 RTEQAOTUQXCIFB-CLCOLTQESA-N 423.516 4.521 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408956677 XXKYTYDVZUBCQW-PGMHBOJBSA-N 419.484 4.599 50 40 HJGB Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1 408967890 VOTONKSKPQYJPN-WGARJPEWSA-N 401.445 4.937 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 409313605 CRDGKQCDWLJGSO-FMCGGJTJSA-N 423.296 4.729 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nn2c(C)ccc2C)o1 409382427 MEYFXPMBULKBJH-CPNJWEJPSA-N 411.465 4.536 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)c(OC)c3)n2)c1 4263921 MTSTYHBQCIBNMP-RQZCQDPDSA-N 406.463 4.817 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1 33607580 LDAJALFXCYCHKZ-JVWAILMASA-N 424.504 4.720 50 40 HJGB Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl 33736559 GMNCIYYFCQEEEO-MYKKPKGFSA-N 424.303 4.570 50 40 HJGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl 409387648 RXYJLFIPQQOVAC-BRJLIKDPSA-N 421.372 4.773 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1 409389020 YTXBFYKYNDNYTD-WJDWOHSUSA-N 410.271 4.805 50 40 HJGB Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc2[N+](=O)[O-])cc1 4595284 ZJCJMSKVKSOHRW-CQSZACIVSA-N 408.785 4.548 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1 33731718 QCJIXAYGEVSUHB-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OC)c2)cc1 408873147 NPLKPTDMKBCHTB-DEDYPNTBSA-N 416.452 4.979 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)[C@H](O)c1ccccc1 409247376 BWCIZFFRLAGLFE-JOWQQVNMSA-N 410.473 4.603 50 40 HJGB Cc1ccccc1NNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 824843 QKIBNUWLQWPXQT-UHFFFAOYSA-N 401.293 4.681 50 40 HJGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccccc1Cl 1445222 YQXLCOQLZZLCJH-SSDVNMTOSA-N 417.690 4.785 50 40 HJGB O=C(N/N=C/c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)c1ccncc1 4675127 QZMQXRSYYXHVKO-CVKSISIWSA-N 418.884 4.533 50 40 HJGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 13659523 HQMSDOMLOXYRIC-YVLHZVERSA-N 406.463 4.678 50 40 HJGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927915 XFLPGOKEZYXKNK-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 229911845 PCNNYBRPMHVQJI-DCCCRPSOSA-N 418.902 4.654 50 40 HJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408754376 NAXQRCCMUKMOIY-DHRITJCHSA-N 405.841 4.677 50 40 HJGB C/C(=N\NC(=O)CSc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408872070 KAHXFYDHONATEZ-KOEQRZSOSA-N 403.507 4.571 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408961629 UFHXKESHAUTLJW-ATVHPVEESA-N 410.315 4.903 50 40 HJGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1 409368414 UPMOOROVEHSOCL-OAQYLSRUSA-N 423.488 4.981 50 40 HJGB CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4729406 ROJQMBQNWRHQQS-SSZFMOIBSA-N 403.394 4.799 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5893151 ROJRSRCOTICZAR-LTLIVYQWSA-N 403.526 4.849 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc(Cl)c1 408723652 YXBVEPMANSNKRO-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 409127052 QASBRDYNJMGOPT-LEBHPONQSA-N 418.518 4.845 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1 409379326 WEPBCVVIMFEKQF-RGEXLXHISA-N 401.466 4.744 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 1056991 ABZYZOQAIBFUGI-HXUWFJFHSA-N 405.523 4.698 50 40 HJGB Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 3092334 KPGBHJRSJBSKKI-WSDLNYQXSA-N 413.271 4.547 50 40 HJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(F)cc2)nc2ccccc12 3264154 YJGDQCOCCMBEBV-LGJNPRDNSA-N 413.408 4.534 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 4457599 RCKWFNJQZHICRV-VHQYHORASA-N 407.558 4.790 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 4863707 NHEHLLGNWWEKJS-OEAKJJBVSA-N 404.495 4.558 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 7385113 SIWWNGWKWZOPKV-YDZHTSKRSA-N 406.313 4.756 50 40 HJGB N#C/C(=C\c1cc(Br)c(I)o1)c1ccc(F)cc1 12285295 RKFHGJJPZAFUGQ-WEVVVXLNSA-N 418.003 4.850 50 40 HJGB CCc1c(C)sc(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)c1C#N 17083158 KBBGDCIDSUAFIJ-RIYZIHGNSA-N 405.458 4.565 50 40 HJGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(F)c2)/C(=C\c2cccc(F)c2)C1 20029559 NSTVBYMDXUKRPG-IWRBETTQSA-N 419.475 4.836 50 40 HJGB C/C(CCc1ccccc1)=N\NC(=O)CSCc1ccccc1Br 20248387 ZRLAWOUEZWQOSB-RCCKNPSSSA-N 405.361 4.807 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3OC)cc2C(C)=CC1(C)C 208524429 FPYIDVBMNKFAMM-YSMPRRRNSA-N 421.541 4.555 50 40 HJGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904241 GYSWSJLGUPWWBB-UUYOSTAYSA-N 408.801 4.549 50 40 HJGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 409255642 IFULQFDVSNGWTL-AFUMVMLFSA-N 417.396 4.840 50 40 HJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Br)c2C)n1 409388809 XGWLXIACDSUMNQ-WOJGMQOQSA-N 423.314 4.917 50 40 HJGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 841924 DKOHVIIVSMATBJ-QGZVFWFLSA-N 415.255 4.845 50 40 HJGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1ccccc1Cl 3170228 ZPTCLXVYEMGPLB-SCELWYEFSA-N 408.885 4.837 50 40 HJGB O=C(NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1cccs1 3358804 BCANZSOHKHXXQW-UHFFFAOYSA-N 413.911 4.753 50 40 HJGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)[nH]c2c1 33714203 JPUISUPQUYXVHB-XGICHPGQSA-N 402.237 4.706 50 40 HJGB COC(=O)c1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc(C(=O)OC)c1 44835413 BMWDZEICAYIBPN-OVCLIPMQSA-N 410.476 4.509 50 40 HJGB OP1(N(CCCl)CCCl)=NC(c2ccccc2)=NC(c2ccccc2)=N1 104218635 ZFFFOCFWZXAWRG-UHFFFAOYSA-N 409.257 4.612 50 40 HJGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c3ccccc32)cc1 408599792 ZWPOABNYVGOHTQ-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)c1 408691503 AYFYZNFTEHCDBM-UNOMPAQXSA-N 410.477 4.838 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OC 408756980 YUWWJBUBLILOMW-SDQBBNPISA-N 421.678 4.665 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccncc1 408921250 BKCHQIRXNYWTMZ-MSXFZWOLSA-N 400.265 4.731 50 40 HJGB Cc1cccc(COc2ccccc2[C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)c1 409092850 ZSRJEWFUCLPHGH-XMMPIXPASA-N 412.445 4.521 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)[C@H](O)c1ccccc1 409255744 IPGIREBFGCTQDO-SIBVSACJSA-N 417.896 4.527 50 40 HJGB Cc1cc(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)c2cccc(C)c2n1 871092 WHKKEOYHCUSTLM-DHRITJCHSA-N 415.518 4.953 50 40 HJGB Cc1cc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2cc1Cl 876539 SJRCFHFVUPTVFR-OAQYLSRUSA-N 413.864 4.861 50 40 HJGB O=C(CCCCl)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 2232114 OUCGVSBPMVRPMA-UHFFFAOYSA-N 408.310 4.980 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1O 3269107 ZUXRSBYLGOCEPJ-SFQUDFHCSA-N 416.433 4.747 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1 6367878 XVLREGMXNFQDBI-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4263937 ZMEOMRZOGGLCMO-MKMNVTDBSA-N 407.407 4.520 50 40 HJGB CCOC(=O)/C(C#N)=C\c1[nH]c2ccccc2c1[C@H](C(=O)CCl)c1ccccc1 4506092 HEGHNNOMTYMKDC-JQFUVSSDSA-N 406.869 4.578 50 40 HJGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccs1 5648766 AUYLFWBNOGRDPB-LVWGJNHUSA-N 411.486 4.582 50 40 HJGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 35183005 BADXRWNGVKYTLK-MDZRGWNJSA-N 418.806 4.528 50 40 HJGB COC(=O)c1c(-c2cccc(Cl)c2)noc1C(Br)Br 100063396 UWLDNPPTUQLXOS-UHFFFAOYSA-N 409.461 4.570 50 40 HJGB O=C(NN=C(c1ccccc1)c1ccccc1)/C(O)=C/C(=O)c1ccc(Cl)cc1 100400484 IQRPNTNRHQXBRJ-QNGOZBTKSA-N 404.853 4.533 50 40 HJGB C[PH]1(CCc2ccc(Cl)cc2)C[C@H](Br)[C@@H](Br)C1 104137292 HGTBSNZGTMVFRK-STQMWFEESA-N 400.522 4.803 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC 408885303 ZBHPKXUTSBEQQJ-SFQUDFHCSA-N 409.283 4.569 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1 409204836 LJWFAPUSPCFLAJ-FBBDWWHMSA-N 421.859 4.816 50 40 HJGB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13542729 HYXUDBBVUZEPTI-FFCSVGGMSA-N 411.380 4.903 50 40 HJGB Cc1csc(C2=C(N)NC(SCc3cc(C)on3)=C(C#N)C23CCCCC3)n1 20052692 LAPRPNATJBWBCW-UHFFFAOYSA-N 413.572 4.598 50 40 HJGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408740237 AQFTVNJHDJCYJA-JYRVWZFOSA-N 416.662 4.551 50 40 HJGB Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(F)cc3)c3ccccc32)cc1 409357215 PJORRPHKABYTRL-CCVNUDIWSA-N 414.484 4.699 50 40 HJGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Br)o1 1782539 MTPXYLUJLHOUGK-KOUDTOEKSA-N 413.271 4.627 50 40 HJGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21 3064378 AXRARPIABFNERU-BWAHOGKJSA-N 424.806 4.519 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1[N+](=O)[O-] 3177092 WCOYJTODHJCMDE-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB CCOC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccc(Cl)cc1 4526017 DJWJYENLOPMZOT-LPYMAVHISA-N 411.285 4.921 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(OC)c1 59473458 HMSUUCVBRMUVJT-BUVRLJJBSA-N 406.507 4.760 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408591918 WKGRYWMZGUISAN-VWXZLZIGSA-N 416.308 4.585 50 40 HJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 408743386 WFFMYNIGMHRFSG-RDRPBHBLSA-N 419.484 4.983 50 40 HJGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408792465 KAWSONDQHBZTJK-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)c1 408858949 UOSQQDYFOSRYMN-MSXFZWOLSA-N 422.824 4.897 50 40 HJGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408949227 ACSFPURDEBCVNP-SQFISAMPSA-N 422.282 4.794 50 40 HJGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccco3)o2)c(Br)c1 4196109 ODOZRTAAFWRCMZ-GXDHUFHOSA-N 411.255 4.834 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 4587778 GDFIZMWCVZDSQM-DERUVMSTSA-N 411.461 4.932 50 40 HJGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(C)cc3)CC(=O)N2C1 4922534 FAWWDEZDNRVYCV-SFHVURJKSA-N 405.523 4.613 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 15226949 NNTZMMXHQBFHIW-BKUYFWCQSA-N 414.465 4.534 50 40 HJGB O=C(N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1 30822106 GFJJNEYGMSQEFS-CFRMEGHHSA-N 413.260 4.977 50 40 HJGB COc1ccc(OC)c([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 1249058 YNZLOVKLANRPRD-VPKVUBIPSA-N 416.525 4.570 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(Oc2ccccc2)c1 1321928 RDMNVGOBYVEFSC-OEAKJJBVSA-N 403.463 4.863 50 40 HJGB O=C(CCl)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)cs1 1405127 BGUOWTFOUGRECD-UHFFFAOYSA-N 412.877 4.979 50 40 HJGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)cc1 4292569 LGVSHKQLQNZTLX-OAHLLOKOSA-N 416.790 4.763 50 40 HJGB biogenic C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2c(ccc3ccccc32)oc1=O 13756439 YAAUDXDDSGRKEW-JFLMPSFJSA-N 422.440 4.959 50 40 HJGB N#C/C(=C\c1c(Oc2ccc(F)cc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 26842341 NCHZEBXBWWQVKH-FYWRMAATSA-N 423.407 4.566 50 40 HJGB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)/C(C#N)=C1/Nc2ccccc2S1 102389169 REUKVZUSMDHDFR-HJIPDZNASA-N 410.520 4.851 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408799210 YLVWJIDIMCPSBN-WOJGMQOQSA-N 408.885 4.913 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(C(F)(F)F)c1 408964772 SALWRLMDSJZBAT-FOKLQQMPSA-N 403.316 4.638 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1O[C@@H](C)CC 408968221 UUAFVDMHNKHHAE-XIXVAHAYSA-N 417.868 4.691 50 40 HJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CCCC2=O 409124039 IVKMYYXGGOXPBL-JOCHJYFZSA-N 419.912 4.649 50 40 HJGB C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(Br)s1 1434094 LBWBZSXSALDQGS-DQAKUKQTSA-N 403.301 4.581 50 40 HJGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 4923286 WMXQVPANANUCGV-LJQANCHMSA-N 405.523 4.532 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 5678047 HKIUPYKZTMJRPM-MDWZMJQESA-N 405.679 4.965 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(C)=O 9428196 OYDCQDURDIYDFQ-SXGWCWSVSA-N 421.434 4.716 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C)c1 20194349 NGWPKEMOKMJPFI-WYMPLXKRSA-N 410.857 4.608 50 40 HJGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 58885765 ZDAUHJXOSQEJLQ-NLRVBDNBSA-N 401.466 4.542 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC 408726356 SIRXZHIQDUCODO-GHXNOFRVSA-N 421.678 4.665 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OC)cc1 408793548 PJZGFLNCKCCNOG-RIYZIHGNSA-N 419.264 4.724 50 40 HJGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)SCCS1 409362229 IOJJEESLVMEHHB-LPYMAVHISA-N 420.987 4.955 50 40 HJGB O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@H](Br)c2ccccc2)cc1 825924 JUIAONLVAAKGFE-HUUCEWRRSA-N 415.081 4.873 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3cccc(C)c3nc2Cl)C(C#N)=C(N)O1 1223576 PKGGQYPCUVXIGC-KRWDZBQOSA-N 411.889 4.620 50 40 HJGB BrC[C@@H]1CN(c2ccccc2)C[C@@H](CBr)N1c1ccccc1 1718061 QNWZNKFPHRJKSB-QZTJIDSGSA-N 424.180 4.540 50 40 HJGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@]2(c2ccccc2)c2cc3ccccc3cc21 8385186 XRZQIPZRFLYILV-CDORBJOZSA-N 418.448 4.687 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 33530825 SNAWZULKRJTFEW-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB O=C(c1ccc(Br)cc1)C(Cl)C(=O)c1ccc(Br)cc1 100780430 WBCUPPCOJWRGIW-UHFFFAOYSA-N 416.496 4.885 50 40 HJGB O=C(N/N=C\c1cccn1-c1ccccc1)c1cc2cc(Br)ccc2o1 408947510 QHAQWZJULFQJIQ-XKZIYDEJSA-N 408.255 4.750 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1 408962299 YHHLXJZJPQFGLE-CFRMEGHHSA-N 423.856 4.773 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1 409258401 UVTYREPDJDYDDS-WGOQTCKBSA-N 412.445 4.579 50 40 HJGB COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc4ccc(C)cc4c(=O)[nH]3)cc2c1 6694399 WWZAWIOMFPDYMB-OQLLNIDSSA-N 402.841 4.506 50 40 HJGB COc1cccc(/C=C(/C#N)c2ccccc2F)c1OCC(=O)Nc1ccccc1 33744585 GZVJZRWUJIVUDF-JXAWBTAJSA-N 402.425 4.916 50 40 HJGB Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 408954638 SABIEMLWHZZTSJ-HMAPJEAMSA-N 423.520 4.545 50 40 HJGB COc1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1 1801130 MLPPWOCIMOXDHH-HUUCEWRRSA-N 413.109 4.533 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)nn2-c2ccc(C)cc2)cc1 408724111 FMYAGQTYHYOPCY-BUVRLJJBSA-N 400.507 4.982 50 40 HJGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N 408753078 LHDCGSKDSKQORQ-NKMOUUHNSA-N 411.490 4.639 50 40 HJGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408795493 VNROQFKGZPOJFP-UKTHLTGXSA-N 416.662 4.551 50 40 HJGB Cc1ccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 408996490 POTUNDLAFSWQDY-WGARJPEWSA-N 416.550 4.978 50 40 HJGB CCCNC(=O)NN(C(=O)NC1CCCCC1)c1nc(-c2ccc(C)cc2)cs1 3768102 VXJHNNOEQXMKHP-UHFFFAOYSA-N 415.563 4.591 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 4923273 KIJOECKRFMYNSC-IBGZPJMESA-N 407.564 4.936 50 40 HJGB O=C(N/N=C/c1ccccc1OC(F)F)c1cc(-c2ccncc2)nc2ccccc12 6189842 LMBCKTWZRNYDAM-MZJWZYIUSA-N 418.403 4.662 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ncccc1[N+](=O)[O-] 15009154 QBOTWFVWVPZZJH-RVDMUPIBSA-N 413.393 4.731 50 40 HJGB COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccc2ccccc12 19798548 DQQMPVZBYFFDLJ-MFKUBSTISA-N 420.465 4.926 50 40 HJGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2)cc1 33418486 SVNCUIRQTMANPP-QNGOZBTKSA-N 412.445 4.598 50 40 HJGB CCCCCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 59417063 WKKLUBWGNATKON-PCLIKHOPSA-N 410.543 4.764 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1 408726192 RISVRKMLPDNXBX-ZHZULCJRSA-N 414.461 4.916 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(Cl)cc1Cl 408875004 HGGQJDIHNMVBQL-YVNNLAQVSA-N 403.221 4.716 50 40 HJGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc1Cl 409009143 XDKNSPVCGMIPTN-ZDXHCBJDSA-N 406.935 4.768 50 40 HJGB O=C(COc1ccc2ccccc2c1Br)N/N=C1\CCCc2ccccc21 672404 GCWFDKGKNXYDGF-LYBHJNIJSA-N 423.310 4.838 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1OC 1306630 WVTVZHWLDOMLRY-NTCAYCPXSA-N 423.494 4.821 50 40 HJGB Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 1445089 TZALREMIADAJIT-RPPGKUMJSA-N 401.388 4.836 50 40 HJGB Cc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 2162179 WOQPMSGDZQFYHH-BHGWPJFGSA-N 418.444 4.907 50 40 HJGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 4836793 AJRFVBUEDXJLJW-OQLLNIDSSA-N 401.403 4.889 50 40 HJGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cccnc1 35333045 JODOZRDWHWBAHD-BOPFTXTBSA-N 403.463 4.532 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C 408746157 BVGZPQLCDPEXSV-NDENLUEZSA-N 419.912 4.980 50 40 HJGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3cccc(Br)c3)o2)cc1 409016376 HWOLUYRDOFEVKP-UUYOSTAYSA-N 409.243 4.736 50 40 HJGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1ccc(Br)cc1 409069181 HZSANTVUNDZOMI-PTNGSMBKSA-N 414.278 4.734 50 40 HJGB COc1cccc(/C=N\NC(=O)c2cccc(C)c2)c1OCc1ccc(Cl)cc1 409085079 YSBMBFPTEJACQR-QFEZKATASA-N 408.885 5.000 50 40 HJGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cc4ccc(C)cc4nc3Cl)ccc21 7894574 NFMSLEIDGAVBOH-WYMPLXKRSA-N 405.889 4.639 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 83333497 YYIUAEBQDAMUDV-XKZIYDEJSA-N 414.303 4.805 50 40 HJGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 169885864 XLPHBIRSXRJISL-XKZIYDEJSA-N 419.319 4.709 50 40 HJGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl 408887368 QDXQHVWICIARSD-WUXMJOGZSA-N 406.225 4.764 50 40 HJGB COc1cccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409244109 XUNZQUULOLDSEB-YSMPRRRNSA-N 401.441 4.601 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OC 409336349 RQBYCRDESNOHFB-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 409365666 RHVLKPAMKWDDLZ-FSJBWODESA-N 411.845 4.818 50 40 HJGB C#CCn1c(C)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 409390329 CLFDXCPIESLRQL-TURZUDJPSA-N 405.501 4.865 50 40 HJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 915346 SLADYFWLWSRJSN-SFHVURJKSA-N 419.264 4.898 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1O 1454284 GCMAXUCNTYDSIK-FMIVXFBMSA-N 409.785 4.759 50 40 HJGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1830208 DOQVFJGXSRBCDQ-RVDMUPIBSA-N 416.418 4.801 50 40 HJGB C=CCOc1c(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cccc1OC 16228209 DTGIEIZSWZEZQC-MYYYXRDXSA-N 400.434 4.923 50 40 HJGB CCC(C)(C)C1CCC(=NNC(=O)[C@@]2(C)CC2(Br)Br)CC1 17092875 ARIREDVIEJPMKG-JOPIAHFSSA-N 422.205 4.981 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 33737213 CZYYIENDKVOSIO-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)C(C)C)cc1OC 40139964 HEBSLXJUMBCAPL-NDENLUEZSA-N 415.493 4.748 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2[C@H](C)CC1(C)C 208310438 AMZVFKOPJQROEV-OOHHOYHOSA-N 413.949 4.981 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1 408959900 HVEMTIFDFIGODS-NLRVBDNBSA-N 400.526 4.848 50 40 HJGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Br)cc1 408962255 XRIROESBVDBBLT-VKAVYKQESA-N 410.315 4.985 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 409209648 HKZZBOLKQKYZQG-PDGQHHTCSA-N 414.421 4.945 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)ccc1OC 409320125 PENFULDZUTWBDE-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccccc1 2768193 LCQCRBOSFUSBRN-CJLVFECKSA-N 404.473 4.763 50 40 HJGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(O)c1 4705380 JXBGEPDTBPQOAX-XNTDXEJSSA-N 414.303 4.547 50 40 HJGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 20029463 CYBXNZQPJPWRHY-FQEVSTJZSA-N 424.909 4.978 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1O 96476304 VBNDWPIGJSAPTD-OQLLNIDSSA-N 415.287 4.661 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 408566240 FJEPZUVPOABZOD-BUVRLJJBSA-N 405.454 4.845 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408802927 JGNRHQOSDJTFDW-HNEYUBDGSA-N 400.320 4.678 50 40 HJGB C=CCOc1cccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1 409138572 DWBUJMKMPWYRPX-SSDVNMTOSA-N 409.338 4.942 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 948765 DVSKILMXOVUFJP-HMMYKYKNSA-N 412.445 4.769 50 40 HJGB CCCOc1ccccc1/C=N/NC(=O)COc1ccc(OCc2ccccc2)cc1 3167064 WILASSGHJBNRCY-YZSQISJMSA-N 418.493 4.584 50 40 HJGB COc1ccc(OC)c([C@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5408896 YNZLOVKLANRPRD-LZFQIVBZSA-N 416.525 4.570 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 7750201 CGVNXUKNCJLAEO-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB CCCOc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(C)cc1C 20195019 DVPHZTMXPCODNA-LPYMAVHISA-N 403.320 4.548 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@@H](C)CC1(C)C 223573700 XNDVLHLFGBXTMP-GCMSVZMUSA-N 408.502 4.779 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(SC)cc2)c(C#N)c1C 408546642 KWQYZDLZSIYDTO-OQLLNIDSSA-N 410.520 4.546 50 40 HJGB COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br 409018933 ZEJQTNFVCUGDCI-UKWGHVSLSA-N 407.651 4.621 50 40 HJGB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccc(F)cc1 1789626 BIZHFSCOMBTHDO-ZVBGSRNCSA-N 405.907 4.845 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)o2)cc1 13509837 BLYBFGKNKJBVLT-AQTBWJFISA-N 416.433 4.678 50 40 HJGB Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1C 408544516 UMFOGRGDTSMQRP-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cccc(F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408994518 HWTUWNKJOYHLIL-ZMFRSBBQSA-N 420.513 4.809 50 40 HJGB O=C(c1ccccc1)N(CCCCl)C(=O)N(CCCCl)C(=O)c1ccccc1 1596973 QOOWNXWGFJMYAE-UHFFFAOYSA-N 421.324 4.649 50 40 HJGB O=C(NNc1ncc(Cl)cc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 3373852 NGPLPOSSOSCWEB-UHFFFAOYSA-N 424.291 4.998 50 40 HJGB N#C/C(=C\c1ccccc1C(F)(F)F)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 5070446 MSGFJPAOPLZBLV-FMIVXFBMSA-N 401.413 4.946 50 40 HJGB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c1 6056621 WXPFTNBTUCWERY-FCKOQQNDSA-N 424.456 4.719 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OC(C)=O 15018683 AQAVDFKQDGCWCU-AFUMVMLFSA-N 416.433 4.674 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](/C(C)=N\NC(N)=O)CC[C@H]32)C1 257198381 GFJOPLHDGOHLPB-TZQBKDQKSA-N 415.578 4.541 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 4739490 IEELBCUMEULHPU-VULFUBBASA-N 407.901 4.507 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)c1 5248626 PSENGANDISIMAP-MRXNPFEDSA-N 413.264 4.610 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 5661208 OBSCMIXVVCHWRE-MOSHPQCFSA-N 414.417 4.972 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(C#N)cc2)c2ccccc12 9202592 YNWQDQSTBRWLJU-LQKURTRISA-N 406.489 4.942 50 40 HJGB CSc1ccc(Cl)c(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 21285570 JFMQHZFZQJUFQA-UHFFFAOYSA-N 405.785 4.746 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Cl)cc1 59302254 SHZWCLBSKZXPCC-CIAFOILYSA-N 402.679 4.657 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1 59488454 YKXSBZBDSLRKPQ-BUVRLJJBSA-N 415.921 4.696 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 408591464 UBZUYNAWYAIPAY-AFUMVMLFSA-N 418.884 4.787 50 40 HJGB CCn1ncc(/C=N/NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C 1005587 AWGRCCCILXISOE-VULFUBBASA-N 413.525 4.595 50 40 HJGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccco3)n2C2CCCCC2)cc1 6032915 ZOVWGRANCACRBH-OEAKJJBVSA-N 423.542 4.594 50 40 HJGB CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 409145401 HVMIZZAIYOTJQG-QFIPXVFZSA-N 419.912 4.649 50 40 HJGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1 409368662 GWEQOQKTIVATIX-OAQYLSRUSA-N 405.498 4.760 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2)cc1 3088815 BKPDDAFJCXPSQJ-QFIPXVFZSA-N 400.478 4.716 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1O 4853328 WIPGDUPHSWEFEQ-NVNXTCNLSA-N 402.431 4.695 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 223547607 DVNVFYHZCHURQT-OMTSMLQXSA-N 423.557 4.725 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)cc1 408743796 BRVSFUMLTJAREJ-UYRXBGFRSA-N 402.425 4.959 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C 408784284 QBUZYOHDANAGHE-LGJNPRDNSA-N 408.933 4.927 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c(Cl)nc2c1 408827677 FWABVCRLAPUJTN-LSFURLLWSA-N 408.672 4.968 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(N(C)C)o1 408855726 GVHACRHGTVQHIQ-WDZFZDKYSA-N 408.683 4.616 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OC 409017045 DPWCMGKDEWGHOG-YVNNLAQVSA-N 407.253 4.911 50 40 HJGB Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1C#N 409237906 JJPAEDOGAUMDDH-MWLSYYOVSA-N 424.479 4.702 50 40 HJGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 940836 NIPSSNONNTXENL-SFQUDFHCSA-N 418.474 4.843 50 40 HJGB Cc1cccc(N2CCN(C(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)CC2)c1 951017 QPPFUDDKCZPZJT-CAPFRKAQSA-N 415.468 4.650 50 40 HJGB C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1 5516915 PYZJJVSDPCGYKP-WPWMEQJKSA-N 408.461 4.650 50 40 HJGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2C)ccc1OCc1ccccc1 6026593 OPGCQLYOPDURNT-JVWAILMASA-N 417.509 4.535 50 40 HJGB N#C/C(=C\c1cnc2ccccc2n1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 17082556 PNBYDMDYDTYTEF-YRNVUSSQSA-N 402.763 4.848 50 40 HJGB N#CC1=C(N)N(c2ccc(Cl)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31817651 BUZQACOMZQNWEA-NRFANRHFSA-N 415.884 4.521 50 40 HJGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)CCn1c3ccccc3c3ccccc31)C2=O 101102967 QZGRWQTUKOILIZ-YXOHJUJESA-N 401.510 4.682 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1NC(=O)c1ccccc1 409213316 SICWJNOLWXVJTE-UNOMPAQXSA-N 418.884 4.688 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@]1(C)C(=O)[C@H]2Br 2172582 VDOMLYFVXWUOML-OAUYIBNBSA-N 418.253 4.803 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 20197714 XZPUGNAGHTWZBI-PCLIKHOPSA-N 405.498 4.655 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1 20238144 NXIQDZYZFRFAIS-IBGZPJMESA-N 407.564 4.624 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccs1 59445211 FMOWKIAKQWMSIU-CIAFOILYSA-N 415.312 4.854 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 409052245 GVENNHITHPELNY-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB CCOc1cc(Cl)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 2799172 HKQFZJVTHHUXIR-BTYIYWSLSA-N 422.916 4.731 50 40 HJGB O=C(COc1ccccc1-c1ccccc1)N/N=C1\CCSc2ccc(F)cc21 5973779 IZXCWGYGLXAOAK-LKUDQCMESA-N 406.482 4.888 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(NC(C)=O)cc3)n2)cc1OC 13773703 RHWOWSIQVTYOKM-VBKFSLOCSA-N 420.494 4.762 50 40 HJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2OC)cc1OC 34718094 NSMXUYOGAXKLSX-IKTNTUJMSA-N 405.882 4.690 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CI)[C@@H]1CCC2=O 118912432 WHAGMEOCNIRULZ-BGJMDTOESA-N 412.311 4.503 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1C#N 408743388 WFTGQCZILBNFCK-VULFUBBASA-N 419.868 4.563 50 40 HJGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 59473410 VHDUHUAUNJCCDS-NLRVBDNBSA-N 417.534 4.962 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 59535590 MXSSHTYWUPDLTE-XMHGGMMESA-N 420.446 4.735 50 40 HJGB COc1ccc2oc(=O)c(SSc3cc4cc(OC)ccc4oc3=O)cc2c1 96191248 GMWGJTPVBVTICH-UHFFFAOYSA-N 414.460 4.716 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 108036821 QSEFMKHALFUYMM-UNOMPAQXSA-N 420.896 4.943 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408761382 JGXZWIVBORUBHL-AWQFTUOYSA-N 416.102 4.919 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OC)ccc4ccc(OC)cc34)cc2c1 409187927 VSYWZBRZQLIQQI-QFEZKATASA-N 418.449 4.766 50 40 HJGB Cc1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 4854866 PCNNYBRPMHVQJI-VXKDUJCOSA-N 418.902 4.654 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 59410682 AYOQWPMFIMWGNZ-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(F)c(Oc2ccccc2)c1)OCO3 85408843 AYTRRCACJQOAJJ-QFIPXVFZSA-N 402.381 4.565 50 40 HJGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OC)c(OC)c2)cc1OC 408578698 AJYIGBGYIZXRPW-VGOFMYFVSA-N 404.260 4.548 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1 408722043 CKLDLKACPNNULS-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1C1CCCCC1 408742635 XGEMSUYMBHBCHX-CVKSISIWSA-N 404.514 4.687 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(Cl)c2)cc1 408789236 OQVFPDMFEHHJMR-RIYZIHGNSA-N 419.264 4.724 50 40 HJGB COc1cccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c1 408859469 UNODWANWYGWRFB-VULFUBBASA-N 406.457 4.794 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 409207864 BQPFHFSDRKRZBJ-WQRHYEAKSA-N 418.409 4.983 50 40 HJGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(OC)c1 3330196 ZXRDLNXOZDZXPT-GZTJUZNOSA-N 400.425 4.967 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 408529393 JLORPIBVTLZODG-UVHMKAGCSA-N 414.431 4.675 50 40 HJGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)cc1[N+](=O)[O-] 409231274 JMGCKBZWYRYZSQ-ZHZULCJRSA-N 415.449 4.819 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 4132448 KQJCGHYZZISANE-WSDLNYQXSA-N 419.319 4.528 50 40 HJGB Cc1occc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5273149 FQUMGRNUGBVDPX-UHFFFAOYSA-N 411.870 4.593 50 40 HJGB O=C(N/N=C\c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 5567318 WJMPEDBFVZXTPW-HBDSXEKQSA-N 404.084 4.967 50 40 HJGB Cc1cc(C(=O)/C(C#N)=C/c2csc(-c3ccccn3)n2)c(C)n1CC(F)(F)F 44028168 XHTCISPVZJYVTI-RIYZIHGNSA-N 416.428 4.976 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1 408692257 IPUWNAMGNWYDHA-VULFUBBASA-N 424.932 4.708 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 408692736 UCIALEJKMNJZSF-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OC(C)=O 408755340 KJSJWVIRTXKOIJ-UDWIEESQSA-N 400.434 4.709 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 408883614 UDDTXPMEYLGWOZ-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB Cc1ccccc1-n1cccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33633999 GEVLFLYKGSIJDK-LPYMAVHISA-N 404.451 4.673 50 40 HJGB CCOC(=O)C1=C(C)OC(/N=C(\S)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1 39379143 ZVFJBEOJVBVTLF-HXUWFJFHSA-N 419.506 4.771 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1 59201066 MCYFGRGMACFOCU-OQLLNIDSSA-N 415.287 4.574 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c1C 408745368 RARXLYBFAOYSED-LGMDPLHJSA-N 400.434 4.896 50 40 HJGB O=C(N/N=C\c1ccc(N2CCCCC2)cc1)Nc1ccc(Br)cc1 408960686 NUNXIHWCBSKSDN-STZFKDTASA-N 401.308 4.595 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)cc1 654879 CVZRZIREAMEEPX-MFKUBSTISA-N 406.482 4.929 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 683638 DGMIUSQLLUWICT-SRZZPIQSSA-N 401.260 4.746 50 40 HJGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)C)cc1 3174769 DPTQIYREKVJVRO-WSDLNYQXSA-N 419.319 4.500 50 40 HJGB Cc1sc2nc3n(c(=O)c2c1C)C[C@H](Br)[C@@H](c1ccccc1)S3 4942575 ABHBMVXRHLIQBV-GXTWGEPZSA-N 407.358 4.685 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C 59335435 ADOHLBCCFCDQKH-ZHZULCJRSA-N 413.477 4.735 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1[N+](=O)[O-] 408963551 OJJPCCQNMUJPNQ-BHGWPJFGSA-N 417.343 4.946 50 40 HJGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1C 409200429 LINPCJMMUQKWHI-MOYYISEASA-N 404.901 4.813 50 40 HJGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1 9204788 WSUVWCMFHKVFSQ-BUVRLJJBSA-N 423.310 4.860 50 40 HJGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 59401614 SIYSYCWGXMALSP-WNIQNGNASA-N 417.534 4.960 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)o2)cc1 101675834 XLFDVJOVZCCNTN-ZDLGFXPLSA-N 422.444 4.742 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408737380 NLSHROHTQRWYQQ-CVKSISIWSA-N 422.912 4.929 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 409363893 OKZNAYRCYSGQCO-YDZHTSKRSA-N 411.845 4.763 50 40 HJGB Cn1c2ccccc2c2ccc([C@@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc21 2759702 DZJKDBKSYUYFRM-HYBUGGRVSA-N 403.489 4.925 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1 8811058 CSYZEUWTZOTDRN-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB CCc1ccc2c(Cl)c(C(=O)NNC(=S)NCc3ccc(F)cc3)sc2c1 13323872 MCLOMVORIWLYCA-UHFFFAOYSA-N 421.950 4.565 50 40 HJGB COc1ccc(/C=N/NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100490114 WMXKTKDLMOPUEM-GEPOBASISA-N 402.538 4.992 50 40 HJGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1cccc2ccccc12 100544229 XMXBKUYCDQFKHF-AFUMVMLFSA-N 409.873 4.636 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 207823683 PSTUBOVTTFGDOS-MOSHPQCFSA-N 414.461 4.828 50 40 HJGB CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3Br)cc21 208438605 ZLLYSYKFVGEEPM-YDZHTSKRSA-N 412.331 4.845 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])c2C)cc1Cl 408599466 VHYXOKMNPGUXKI-FSJBWODESA-N 410.861 4.728 50 40 HJGB N#CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 408862557 GHOVIURTONEQDC-CVKSISIWSA-N 413.502 4.542 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 409072360 BVLUKDPSJBVZGV-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 4474741 NTDOLZHKPYCGLU-UHFFFAOYSA-N 421.607 4.538 50 40 HJGB O=S(=O)(O)c1ccc(/N=N/c2ccc(N(CCCl)CCCl)cc2)cc1 4774338 TZZKJIJYMBMITP-FMQUCBEESA-N 402.303 4.633 50 40 HJGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9110106 AFHDLINOWARMNI-GZIVZEMBSA-N 411.651 4.940 50 40 HJGB N#C/C(=C/c1cccc(OCc2cnc(Cl)s2)c1)S(=O)(=O)c1ccccc1 29764080 MQHBWPOBCZEXOV-ZDLGFXPLSA-N 416.911 4.714 50 40 HJGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 33635833 CZEXKXCPHXMTCE-MLPAPPSSSA-N 405.237 4.636 50 40 HJGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)N1CCN(c2ccccc2)CC1 59333398 FKIVXZOGZZRAHI-ZPHPHTNESA-N 415.518 4.687 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 408814355 FPORKJCPZKSNKQ-NDENLUEZSA-N 419.912 4.980 50 40 HJGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Cl 408826083 SQRWPZAXNVXSOL-NVNXTCNLSA-N 405.281 4.624 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1ccccc1 409204838 LJWFAPUSPCFLAJ-QOOAEOCLSA-N 421.859 4.816 50 40 HJGB C[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857794981 CQTCXERPVMMUIR-HMILPKGGSA-N 409.535 4.558 50 40 HJGB C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccccc1 1468739 FHYQFAHSRMNQIU-ITYLOYPMSA-N 410.477 4.810 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1 20132215 AWFULKMSGBGZGJ-MRVPVSSYSA-N 406.143 4.788 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(F)cc2)/C(=C\c2ccc(F)cc2)C1 34221941 KWPXQJDDZOQFIP-RXATWSHQSA-N 419.475 4.834 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 59335489 AGCBSHYUZDSTHT-BKUYFWCQSA-N 413.477 4.955 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336235 YLMSRXJKPAXSOO-UVTDQMKNSA-N 401.249 4.560 50 40 HJGB COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1OC 408582309 MUZPANOCYHWOOI-DEDYPNTBSA-N 414.461 4.785 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408802209 XRNCSZZHIGTDNS-GXDHUFHOSA-N 401.235 4.699 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OC(C)C 408966118 KABYNWSEBGRURU-YSURURNPSA-N 414.811 4.919 50 40 HJGB O=C(c1cccc(OCc2cccc(F)c2)c1)[C@H](Br)CBr 575357690 SRDILIJQDXKWIX-OAHLLOKOSA-N 416.084 4.746 50 40 HJGB Cc1cccc(OCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1 4934640 KWLOBYYUKUEMEZ-YUMHPJSZSA-N 411.505 4.836 50 40 HJGB N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4953704 JVODOONIRJGTMP-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1 8446700 UQEKVGCIMQKQDW-YDZHTSKRSA-N 414.914 4.682 50 40 HJGB Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(Br)c1 20103140 OCYCVMPHFLZCOW-FSJBWODESA-N 417.347 4.893 50 40 HJGB C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917256 YRTCIQITXOOFGW-QAQLXFPUSA-N 404.901 4.920 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1cccc(C)c1 59500487 OPSGQPMVHDJYMJ-QQXSKIMKSA-N 416.477 4.685 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C 208310053 OALBIAWNBJKJBE-OOHHOYHOSA-N 413.949 4.981 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br 408815705 UCDHMMCCHZRWFE-DSSNTAQOSA-N 403.320 4.616 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409142548 KSWZKEDQIPSSNS-QFIPXVFZSA-N 422.843 4.982 50 40 HJGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1453741 NGJNOIKXTYHGKU-FOKLQQMPSA-N 408.801 4.753 50 40 HJGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4953705 AJMHZFAGXOGODT-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)Nc1ccccc1S2 5494673 DASSYGMVZDWZIA-ZMOGYAJESA-N 403.463 4.778 50 40 HJGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 59435483 WQQCGQHWFQFFSG-ZMOGYAJESA-N 404.857 4.852 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 59444726 FKZYPHJHEQKCME-WPWMEQJKSA-N 423.472 4.508 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC 408881587 NOGFCPQXBUWXOV-LDADJPATSA-N 408.885 4.859 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1 408922781 HAUOPSNXPQMVFV-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(N(C)C)c1 409010288 BUHDRELNHPYPPZ-ONUIUJJFSA-N 419.525 4.614 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 409185981 UGZQOTBGGOBPEY-FSJBWODESA-N 414.278 4.760 50 40 HJGB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)CCCCl)ccc3O)nc2c1 2212511 GZSBTWNSPLAKRP-UHFFFAOYSA-N 417.918 4.595 50 40 HJGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccccc1)c1cccc(F)c1 2279023 UNDKRDGAKPMROD-UHFFFAOYSA-N 400.494 4.615 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1 2658195 VOSLAOQFBPKVIU-WSDLNYQXSA-N 400.887 4.753 50 40 HJGB COc1ccc([C@@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Sc2ccccc23)cc1 3277610 SWDFLQSVMLIYPB-GOSISDBHSA-N 403.385 4.523 50 40 HJGB N#C/C(=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NC1CC1 5900161 FSHQJYDZERAZOV-SAPNQHFASA-N 419.912 4.949 50 40 HJGB Brc1ccc(-c2cn3cc(CI)ccc3n2)cc1 69593927 QCMMQTMXSVTQCL-UHFFFAOYSA-N 413.056 4.699 50 40 HJGB O=C(CCCC[C@H]1CCSS1)N1CCC(Oc2ccncc2Cl)CC1 390827470 YGUOSPTXRAUYNT-HNNXBMFYSA-N 400.997 4.819 50 40 HJGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc2ccccc2c1OC(F)F 5695869 DJKBHNQKQPEYQP-LGJNPRDNSA-N 408.408 4.551 50 40 HJGB C/C(=N\NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1cc(O)ccc1O 13322344 RJUMHASMRGSLJY-JVWAILMASA-N 411.461 4.775 50 40 HJGB C[C@@H]1CCC/C(=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C1 34706244 NDOZCGUIQNYMAX-BXBKDCBCSA-N 419.554 4.709 50 40 HJGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 59104772 CIKZPUNYCDUANQ-JVWAILMASA-N 424.456 4.881 50 40 HJGB N#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 136326312 RTSQEAOWIBFEOJ-PKAZHMFMSA-N 406.445 4.568 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)cc1 223170848 ZECAHIPQJATYLR-UYRXBGFRSA-N 401.466 4.657 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1C 408568759 WWJZOAVPRHVZKN-WYMPLXKRSA-N 410.857 4.608 50 40 HJGB COc1ccc(OC)c([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 5408920 YNZLOVKLANRPRD-FXCLAUTBSA-N 416.525 4.570 50 40 HJGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(Oc2ccccc2)cc1 15424618 LFVFNOVUSOBROB-UHFFFAOYSA-N 402.841 4.565 50 40 HJGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1 33764750 AKPFWGPEFRNZIH-OVVQPSECSA-N 423.472 4.769 50 40 HJGB CN(c1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 98050246 GLMCLSQNDBTCOG-UHFFFAOYSA-N 413.437 4.940 50 40 HJGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1OC 408583604 VUXHKMWSGAOPKS-WLRTZDKTSA-N 408.237 4.538 50 40 HJGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OC 408744828 HPHGJZPZLMSQNY-GHXNOFRVSA-N 421.678 4.665 50 40 HJGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)NC[C@H]1CCCO1 1091291 KEYVISVOOWQCHN-ONQWYEKWSA-N 412.489 4.621 50 40 HJGB Cc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(C)c1 4616076 KQBBCEDOWMSHDH-RCCKNPSSSA-N 416.477 4.578 50 40 HJGB CSC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 4901554 UZNKCPQVMVPECB-INIZCTEOSA-N 403.345 4.877 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc(C)cc2)cc1Br 20243998 ZJNWXNHBDJIVGB-KGENOOAVSA-N 421.360 4.540 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 409230617 DLDGZJWKKXIOPW-JVWAILMASA-N 411.509 4.661 50 40 HJGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2cccnc12 1753075 VGFPZTYLZNHFNU-SSZFMOIBSA-N 410.389 4.949 50 40 HJGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2cc(Br)ccc2o1 9261936 ZYNYXSIBBLLFGN-LSFURLLWSA-N 411.177 4.978 50 40 HJGB C=CCSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1 21601441 FCHYDFUWXQTPLZ-OAQYLSRUSA-N 421.522 4.851 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 35128537 ZBCBJJIWXBBUTN-JVWAILMASA-N 424.504 4.720 50 40 HJGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 107878383 HVTBEAGXXNQZJQ-LPYMAVHISA-N 404.451 4.673 50 40 HJGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408795455 LUQKRYYBPUOOFE-RIYZIHGNSA-N 415.833 4.591 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C 408810122 IIWWKENZRMQXLD-DSSNTAQOSA-N 403.320 4.616 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(O)cc4)c3C)cc2c1 409188287 YIEFPIVUFLQQHP-QFEZKATASA-N 417.465 4.709 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCCC2)c(F)c1 409203656 ZVWDIJRVFWNGTI-YDZHTSKRSA-N 405.926 4.712 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 409243658 XKXWIFXNBKUOMO-CCQQXMDGSA-N 412.537 4.945 50 40 HJGB O=C(N/N=C/[C@@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Br)c1 2313592 CZBMDCRLDIPKEJ-BTZNOAQDSA-N 412.114 4.680 50 40 HJGB Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(/C=N/NC(N)=O)cc2Cl)c1 9136261 MGMURLATWJOPRW-BHGWPJFGSA-N 424.328 4.885 50 40 HJGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(N/N=C/c2c[nH]c3ccccc23)cc1 12565023 XUSBZFMSLMMYBS-QSXCDPBRSA-N 420.476 4.859 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 100175370 KFLVYUCNGBMMDP-ABZVSAKDSA-N 401.850 4.785 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)c1 408745132 JYGWRCIDDLIMTM-VBKFSLOCSA-N 416.433 4.898 50 40 HJGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1 408807605 DIKFTPYAOKPWTO-SFQUDFHCSA-N 412.873 4.851 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 408892792 CMFMITHFCLXGIA-KPKJPENVSA-N 405.241 4.513 50 40 HJGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3cccc4cccnc34)o2)cc1 409022558 SKSBCGZJZWKMAB-QFEZKATASA-N 417.490 4.817 50 40 HJGB BrC(Br)C(Br)(Br)c1ccccc1 1689842 LZXIOBBQFSCJGK-UHFFFAOYSA-N 421.752 4.745 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3086943 ZRMKFWRBDUNHFW-OGLMXYFKSA-N 423.472 4.621 50 40 HJGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)COc1cccc2ccccc12 4679321 KKRFZCQYXZRNAK-OVVQPSECSA-N 417.509 4.863 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1 4827489 LWOQYMXKSQEPPC-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB N#C/C(=C/c1ccc(O)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8400490 DDCBTFQHFONBIV-AUWJEWJLSA-N 417.402 4.594 50 40 HJGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 38682272 VZLWINIGSXICOH-HXUWFJFHSA-N 420.515 4.907 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)c(C)c1 408936712 PQPXDNMUQASRSU-STZFKDTASA-N 419.525 4.545 50 40 HJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 639287 PHKONQJRBXSCCO-NRFANRHFSA-N 424.884 4.564 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)s2)sc2c1CC[C@@H](C)C2 1297170 PDDCRSFKOCBUBX-HLVNSREUSA-N 414.552 4.965 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)cc1 20197433 BKLYLGOAONWANC-PCLIKHOPSA-N 420.465 4.676 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 20764067 JVCRWLXIVPOHFB-WSDLNYQXSA-N 413.817 4.671 50 40 HJGB COc1cc2c(cc1C)/C(=N/NC(=O)CSc1cccc3cccnc13)CCC2 32116509 ZFMNNWUWKIXNOU-NCELDCMTSA-N 405.523 4.501 50 40 HJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(O)cc1 108088176 QCCXMXXFYCHWCE-LCYFTJDESA-N 408.797 4.549 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)c1 408724134 GAXUXMQWRDDNTN-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccnc1 408988966 SURVBRANYXDBQL-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 409215204 YMBMRNVTPRLGMN-OEAKJJBVSA-N 417.962 4.581 50 40 HJGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1 409237494 XANJPCDDTNXVJT-ZHZULCJRSA-N 414.461 4.609 50 40 HJGB COc1cc(/C=C(\C#N)c2ccccc2F)cc(I)c1OC 1071250 MXVMFADWQXEZNZ-KPKJPENVSA-N 409.198 4.512 50 40 HJGB Cc1c(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c2ccccc2n1Cc1ccccc1 9700703 YRHZXMZNYGGOTO-CVKSISIWSA-N 413.525 4.783 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OC 408857090 SASHFBXRSGWZFS-UUYOSTAYSA-N 413.271 4.696 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cccc(C)c1 408977166 HOYYSPYIQMPOOY-CIAFOILYSA-N 401.466 4.643 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Oc1nc(Cl)ncc1F 409007440 OUXFOCNSYFLUTE-NTEUORMPSA-N 424.819 4.616 50 40 HJGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 409066778 NXGARYHTJOILEM-PXLXIMEGSA-N 402.494 4.602 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1 409214762 YOZACDNPFXULNX-MOSHPQCFSA-N 401.422 4.853 50 40 HJGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(O)c(C(=O)O)c3)n2)cc1 2224810 HEXVVGUWUWGMDV-SDNWHVSQSA-N 407.451 4.589 50 40 HJGB O=C(N/N=C(\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 12376150 GDFIZMWCVZDSQM-KSJJNQEBSA-N 411.461 4.932 50 40 HJGB CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc12 33934465 BDFAORCVIKFOIS-USHMODERSA-N 424.500 4.625 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1C(=O)O 409202353 PZLDXSVHZQPWMC-ATVHPVEESA-N 419.868 4.991 50 40 HJGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cccc(Cl)c1Cl)CO2 4523713 FIEZPSAKZSBTIQ-UKDAFGSXSA-N 407.297 4.581 50 40 HJGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 6356392 RFXOGEUGJJJZMN-IBGZPJMESA-N 419.550 4.576 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2ccccc2o1 138214344 AMSACEZDVYYOQY-KSEXSDGBSA-N 408.797 4.808 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408746281 YDVPUDVHMPMMAU-GDNBJRDFSA-N 415.276 4.950 50 40 HJGB COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3cccc4ccccc34)c2c1 409016712 VMIXQKZIYMTZDB-YSMPRRRNSA-N 414.461 4.539 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 5260978 IVHIYJIUIYQBKF-OAQYLSRUSA-N 405.448 4.906 50 40 HJGB Cc1nc2c(c3c1[nH]c1ccccc13)/C(=N/NC(=O)c1ccccc1O)CC(C)(C)C2 12654673 LTGIUERQVGYBKH-TURZUDJPSA-N 412.493 4.837 50 40 HJGB biogenic CCn1c(SCC(=O)N/N=C\C(C)=C\c2ccccc2)nnc1-c1ccc(C)cc1 30743087 OKDOVWREOFEAAG-WJLQUPOGSA-N 419.554 4.571 50 40 HJGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(C)cc3C)o2)cc1Cl 67196970 RSXWDAYTOYJWBF-MSXFZWOLSA-N 412.873 4.755 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1O 408983991 PDOISRWCQICRLB-XGICHPGQSA-N 421.678 4.671 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1 409241936 SWBAXNOCYYCKEP-UEIJICEPSA-N 414.421 4.566 50 40 HJGB CCOc1cc(Cl)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 2799169 HKQFZJVTHHUXIR-QVKFZJNVSA-N 422.916 4.731 50 40 HJGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2)cc1 3112535 QCUOCGGEQQIRHX-JVWAILMASA-N 424.456 4.837 50 40 HJGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 4063740 DGOAXMYGLRAFSJ-GHRIWEEISA-N 405.479 4.972 50 40 HJGB Cc1c(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc(N)c1C#N 16249605 LQUKJDUFHGEEGY-NYAPKIOYSA-N 419.293 4.841 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 208392065 MUAGWGSMMHUQIW-WCEBZYJUSA-N 413.477 4.607 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c(C)c1 409238118 VSBACDSSJCZNNP-PNWWAVQQSA-N 414.461 4.826 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 4723082 VSOMJJOPDUKDHW-NTCAYCPXSA-N 402.406 4.508 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 6051234 OHWRNVGGQMERJG-PCLIKHOPSA-N 403.482 4.741 50 40 HJGB CCO[P@](=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCCCC1 2257012 VOCPADKFMMRXMZ-GDLZYMKVSA-N 414.417 4.736 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 9096141 GROKGQJVNZNIGU-MJGLRYBLSA-N 401.850 4.785 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C)c1 20194579 OEYJLVXLZBIMSL-MUFRIFMGSA-N 420.516 4.871 50 40 HJGB C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(C(C)(C)C)cc1 100089550 WZJVVKBXJGFWRE-JVWAILMASA-N 409.574 4.565 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OCC)c2)cc1 408813735 UZDOMISOYVLAII-CPNJWEJPSA-N 422.481 4.595 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(F)cc4)cc3)oc12 408971354 IQJRDYVXCUMMTM-VULFUBBASA-N 418.424 4.923 50 40 HJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2c1 409010472 KPNMQOQFUBXENR-FOKLQQMPSA-N 403.265 4.928 50 40 HJGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 409039192 BWGLNUSFIBORIF-XNTDXEJSSA-N 415.276 4.950 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/N(C)C(=O)OCc3ccccc3)o2)cc1 409190241 QLMVOFUYFCURIZ-BUVRLJJBSA-N 406.438 4.726 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccc(O)c(Cl)c2)ccc1OCc1ccccc1 409310617 BNWRGOWPPQAAQG-QFEZKATASA-N 424.884 4.787 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 8811059 FQJTVKMBQTWASX-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccco1 59417840 DBJLKOCSBDYDKX-SSDVNMTOSA-N 403.221 4.570 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1ccc(Br)cc1 408738084 NGBQIHFNEHRFMR-FSJBWODESA-N 414.278 4.760 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)cc1 408752258 HDNZHPLZULKXPP-NBVRZTHBSA-N 424.460 4.696 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408884671 USVHCHPUQKEIQK-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)c(C)c1 408953862 QHDBUELJYARQPC-IDUWFGFVSA-N 415.085 4.577 50 40 HJGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc2c1CCCC2 1454087 GWNVQXHRCSDEKP-RVDMUPIBSA-N 412.486 4.877 50 40 HJGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Cl)ccc1O 3092486 SZWIFTLMPYGIII-SSDVNMTOSA-N 417.690 4.654 50 40 HJGB O=C(N/N=C/c1ccc2ccccc2c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3112933 QOJMNIDIKQXVOE-OVVQPSECSA-N 417.472 4.851 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OCC 4714671 MHXOXPRDCPMCNC-HAFIMRKLSA-N 400.544 4.646 50 40 HJGB N#CCn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21 14152205 LMNBVUNNHGSHSM-RVDMUPIBSA-N 411.490 4.523 50 40 HJGB COc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1OC 33856993 HGUFNGUUENHSLR-CJAAZZPWSA-N 407.495 4.603 50 40 HJGB O=c1c2ccccc2n2c(CCl)nnc2n1-c1ccc(Nc2ccccc2)cc1 408712840 VXBAOADGAKOCEV-UHFFFAOYSA-N 401.857 4.516 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)nn2-c2ccccc2C)cc1 408727416 WOTAOJNFYVCIEO-BUVRLJJBSA-N 400.507 4.982 50 40 HJGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408818702 OLRLYQHYPNQGDF-PDGQHHTCSA-N 406.555 4.682 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc2ncccc2c1 408965557 IRYGSKZATJOPQP-UCQKPKSFSA-N 406.489 4.866 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)c3nc4ccccc4o3)c2)cc1 409073124 XKKKTCPHHGKMBK-AQTBWJFISA-N 416.458 4.968 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccs3)o2)ccc1Cl 409077896 BBXWWXGEBDJNJM-SRZZPIQSSA-N 402.859 4.602 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccc(F)cc1 5588666 DUYNMLUREJUZFH-OAHLLOKOSA-N 401.228 4.741 50 40 HJGB O=C(N/N=C/c1ccc(N2CCCC2)c2ccccc12)c1ccc(N2CCCC2)cc1 7386911 IPJVSFCEFJFJSF-ZXVVBBHZSA-N 412.537 4.804 50 40 HJGB COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4ccccc4)C3)C2)cc1 100225949 ZTITVMAWCLHQTQ-PBTGHQLZSA-N 417.509 4.721 50 40 HJGB Cc1ccc(-n2cccc2/C=N\NC(=O)COc2ccccc2Cl)cc1Cl 409012318 QLGJICWRXMLUON-FMCGGJTJSA-N 402.281 4.622 50 40 HJGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccco1 1302250 JLEJMYPHHXHJOY-RVDMUPIBSA-N 422.462 4.739 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1 3664902 FOJJICUQYTWXSH-KGQSAPLMSA-N 406.526 4.941 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 4739485 GCVBTQIRXUZCKK-FSJBWODESA-N 412.287 4.580 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c1 5163981 OTFRDKGOBYIKFI-OAHLLOKOSA-N 413.264 4.610 50 40 HJGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(F)cc1 5725343 KCACIKURYVVGFC-OVVQPSECSA-N 401.485 4.538 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)c1 15012352 ASQPMBRYULKZCW-BKUYFWCQSA-N 413.477 4.735 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 34902843 YEUYZVLXFGPHTL-MYYYXRDXSA-N 422.868 4.722 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1O 209488664 VQPWHHKOKWRZHP-OVCLIPMQSA-N 405.235 4.768 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCC 13939778 SRGOPGSJEKMFTF-UYRXBGFRSA-N 406.482 4.767 50 40 HJGB O=C(CCSc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 59473675 UQJNTICXRVOWOG-JJIBRWJFSA-N 404.491 4.538 50 40 HJGB C/C(N)=C(\C#N)C(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 104880182 YELBUEJCYAYTQD-JZJYNLBNSA-N 402.523 4.574 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)n2c1 408866290 HCSGNCLWZSFTLU-BRJLIKDPSA-N 419.916 4.776 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1cccc(Br)c1 408959775 FSLGZHTZMRTLGE-BKUYFWCQSA-N 401.308 4.513 50 40 HJGB CC[C@H](C(=O)OC)c1ccc([C@@H](CCl)CNC(=O)OCc2ccccc2)cc1 2362804935 VWSGZLPYVFBAPN-PMACEKPBSA-N 403.906 4.602 50 40 HJGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(C(C)(C)C)cc1 104813337 SNBBPQMXQINTQS-AFUMVMLFSA-N 415.921 4.781 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCC)ccc3ccccc23)cc1 408795486 MLXSSMQMDXUANV-XDJHFCHBSA-N 414.461 4.961 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br 408815706 UCDHMMCCHZRWFE-FKTQOLNDSA-N 403.320 4.616 50 40 HJGB C/C(=N\NC(=O)Cc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408864139 WTXBEYRAFAUVCG-WGOQTCKBSA-N 405.885 4.675 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)oc12 408971713 KBHCUDATFSBWBP-FSJBWODESA-N 419.393 4.682 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C 409202763 UPTOGUPBQHZCCN-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(F)cc1 948066 BJYDLKUNZXOVEU-FYJGNVAPSA-N 423.465 4.752 50 40 HJGB CCCNC(=O)N(NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1 3768093 PXUHUUVETHMCNH-UHFFFAOYSA-N 408.527 4.698 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 59334625 HLMIELSTTDZVTM-SXGWCWSVSA-N 419.308 4.966 50 40 HJGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc([N+](=O)[O-])c1C 208369051 RSKHKPJYXPKBRA-ODLFYWEKSA-N 401.422 4.695 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cccc(OC)c3O[C@H](C)CC)cc2c1 409187863 VEPRWCJMNYIPJH-CPISYKEBSA-N 410.470 4.781 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 409372960 UDDZQPNQDGFKCM-FOKLQQMPSA-N 419.264 4.938 50 40 HJGB O=C(CCCl)Nc1ccc(CCC(=O)c2ccccc2NC(=O)CCCl)cc1 1614282 SMMBTNGRVJRDKW-UHFFFAOYSA-N 421.324 4.637 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC(C)=O 4263922 HACBOAWBDFNMQG-RQZCQDPDSA-N 406.463 4.817 50 40 HJGB CSc1ncc(Cl)c(C(=O)Oc2ccc(Cl)cc2C(=O)CCCl)n1 16750593 TVBBBADHNCHQJV-UHFFFAOYSA-N 405.690 4.536 50 40 HJGB CC(C)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408601663 LHWLJDSRORADHS-UFFVCSGVSA-N 409.711 4.901 50 40 HJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408792956 CIXWKRJSMAJQKX-WUXMJOGZSA-N 406.225 4.846 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1Br 409113808 IXMUHVVABQMGIO-HADWXUJASA-N 421.360 4.787 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3095578 AUUVBKHIQZEKRQ-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 40146073 REQCWFAEHKUGNW-RIYZIHGNSA-N 412.371 4.650 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 169880062 NSNFWOPFMQAXTI-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1cccc2ccccc12 1666440 UKSWDODCAUUUNV-PCLIKHOPSA-N 414.336 4.888 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 4833888 GRMLSQFFYIDWBT-HTYUJRJUSA-N 414.505 4.550 50 40 HJGB CC/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 59473448 OVVZYVWRFBDJTR-OQKWZONESA-N 406.935 4.521 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C 408785069 FSTNTPDDERSUES-PDGQHHTCSA-N 414.421 4.945 50 40 HJGB O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCCN1C(=O)Oc1ccccc1 409004011 WCWKFMZJUPTKHR-JOCHJYFZSA-N 401.466 4.519 50 40 HJGB Nc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409035457 PSACWTHLMATSQG-LGJNPRDNSA-N 402.885 4.689 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409387249 OXZQIKSACJQZME-DHDCSXOGSA-N 410.817 4.604 50 40 HJGB FC(F)(F)C(F)(F)[C@](F)([C@H](Br)CBr)C(F)(F)F 1565657673 VLFYBSVEZRHACY-PWNYCUMCSA-N 405.880 4.613 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4728919 WSWWAGVHMXLIPO-SSZFMOIBSA-N 403.394 4.799 50 40 HJGB C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)Cc1cccc2ccccc12 5342631 DFXOCFKXETVTGX-WGOQTCKBSA-N 407.901 4.865 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1cccc(OC2CCCC2)c1 8382687 YFCSNVMIGMOYTO-HXUWFJFHSA-N 416.456 4.755 50 40 HJGB C/C(=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])cs1 17201760 DNSUUKBHWFIKPI-CNHKJKLMSA-N 422.677 4.536 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc(C#N)c3)c2)cc1 20197892 SXKVKEJLZRRAQT-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 408729042 XFNSZDSZOSQYTA-DHRITJCHSA-N 402.372 4.667 50 40 HJGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(NC(=O)c2ccccc2)cc1 408875449 IWPBDXHNYKWQDR-OGLMXYFKSA-N 423.472 4.952 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 658102 XFQKCSJLHPTLGA-CVKSISIWSA-N 422.456 4.576 50 40 HJGB CCc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@@H]2C(=O)OC)cc1 16993925 LQDZWGWJMGCRMI-VQTJNVASSA-N 406.507 4.760 50 40 HJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 33339726 LQPNKFQGWXIOLZ-ATVHPVEESA-N 411.527 4.543 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2nc3ccccc3o2)cc1 409063397 BEEJVOCQWOONRS-NBVRZTHBSA-N 416.458 4.968 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 409201503 NWSQZJDSDYFNBD-JCMHNJIXSA-N 412.493 4.597 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(F)cc1 13586200 BHZJMVLPIQLHJU-CVKSISIWSA-N 406.457 4.876 50 40 HJGB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NNc1ccccc1 13955564 WZCADGWIJPNHMI-RUZDIDTESA-N 424.504 4.555 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)c(Br)c2)cc1 20198173 GIURKIOQIGSMAL-LPYMAVHISA-N 419.319 4.789 50 40 HJGB COc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c1 408588697 JINURBNXHNGLJJ-JFLMPSFJSA-N 415.468 4.910 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC#N 408790218 VFEQIDNLJKUQAV-NTEUORMPSA-N 416.264 4.840 50 40 HJGB CC(C)COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408859060 SISRCOUBYIUHPM-JJFYIABZSA-N 415.287 4.994 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cccc(F)c2)o1 409021078 XQCKWKVVJAHBOD-SSDVNMTOSA-N 417.234 4.621 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C 662860 IZSRWZOIBHUWBF-AUEPDCJTSA-N 409.313 4.963 50 40 HJGB CCCNC(=O)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 3768103 HVDRVLLJNSDHFP-UHFFFAOYSA-N 409.515 4.781 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cccc(Cl)c1Cl 5739761 XEKUCNZRXMVFBN-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1 28217423 PICOUVFNTWXCII-FSJBWODESA-N 410.861 4.728 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 408729396 ZJDRLWGNTSORGY-FSJBWODESA-N 403.265 4.955 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1Cl 408747836 UMHLFANLPOBKOU-BOPFTXTBSA-N 420.852 4.610 50 40 HJGB COCCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408816088 KJPPHKQBAYKWHT-GZTJUZNOSA-N 419.308 4.632 50 40 HJGB CCOc1ccccc1[C@H]1C(C#N)=C(SC)NC(C)=C1C(=O)Nc1ccccc1 1438232 HNIISCIRVJHEIP-NRFANRHFSA-N 405.523 4.783 50 40 HJGB Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 6044544 BXZATODZHMSIML-JVWAILMASA-N 418.516 4.906 50 40 HJGB CC(=O)Nc1ccccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104169478 WJYGLPJBBCHANI-UHFFFAOYSA-N 411.485 4.871 50 40 HJGB COC(=O)C1(O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1 196040776 WNYWWPLFOPIFQS-HOTGVXAUSA-N 418.723 4.855 50 40 HJGB in-vitro CCOc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1 408676748 NBCMNBIKDJYVQD-KOEQRZSOSA-N 403.482 4.709 50 40 HJGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(C)nc2c1 408770891 CFHNUECFYUSJCQ-VULFUBBASA-N 413.525 4.739 50 40 HJGB COc1cccc(CC(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409240872 QJVVVFHOJPVCLI-JVWAILMASA-N 415.468 4.530 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCc2ccccc2)cc1 705814 AYEBSRLYSIYZEJ-QFIPXVFZSA-N 422.440 4.590 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)cc1 1319593 XZOWLGGQUBPWOO-YSRRJJCPSA-N 419.319 4.506 50 40 HJGB Cn1c2ccccc2c2ccc([C@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc21 2759701 DZJKDBKSYUYFRM-YKSBVNFPSA-N 403.489 4.925 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 4807022 WBGNEWOYFXIZOI-NTCAYCPXSA-N 401.447 4.902 50 40 HJGB COc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)C[C@@H](C)CC4)cc1OC 4865335 HGUFNGUUENHSLR-IGVUGNCQSA-N 407.495 4.603 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)cc1 6372986 YEYZJMMDJYUHOU-RGEXLXHISA-N 402.425 4.959 50 40 HJGB CC(C)(C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(N)=O)cc1 9704335 JOUUJOHFKRUKIZ-WYMPLXKRSA-N 424.328 4.751 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1 34702377 VZEYXFNJFCTQEA-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c(C)s1 806360 KFGBQAKVQOGDIT-CQSZACIVSA-N 400.866 4.766 50 40 HJGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 2727055 RBWKVKBKANFBLS-QFTJCQGQSA-N 419.912 4.545 50 40 HJGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1 4017352 VUOVSLKWUQUZOG-VFCFBJKWSA-N 422.484 4.865 50 40 HJGB O=C(/C=C/NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1 59489084 PDAXPAAFGXKUSL-CCEZHUSRSA-N 421.294 4.747 50 40 HJGB Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 59566570 IFAGFMPDPUKYAZ-SSDVNMTOSA-N 411.918 4.529 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(F)cc2)c1C 408692519 OHMHVCQYOPEJBD-RPPGKUMJSA-N 412.896 4.757 50 40 HJGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccc3ccccc3c2)cc1 408725384 FTVHKYMSJYPVAV-PCLIKHOPSA-N 405.523 4.572 50 40 HJGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1 408820236 WBBIAUJRHWNHJC-UYRXBGFRSA-N 417.440 4.704 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 408884519 UKAYCAPUAPVCQY-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1 408922580 FYFNBUUMTVTDEN-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB O=CC1=C(Sc2ccccc2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 846131 JYUUMXIKCITNRY-UHFFFAOYSA-N 408.548 4.833 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl 4147476 UXCJZWXHEWSOBS-MRXNPFEDSA-N 415.276 4.775 50 40 HJGB O=C(N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1)c1ccncc1 4508461 ODRDDVAMUJSZTP-BUVRLJJBSA-N 411.914 4.670 50 40 HJGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 9096140 GROKGQJVNZNIGU-SSNBBSKJSA-N 401.850 4.785 50 40 HJGB O=C(CCc1nc(-c2ccccc2)no1)NNc1c(Cl)cc(Cl)cc1Cl 24106294 MGGMBJGCPPKGFG-UHFFFAOYSA-N 411.676 4.773 50 40 HJGB C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)C(C#N)=C1Nc2ccccc2N1 32789142 MEFOZEKICAALHJ-LLVKDONJSA-N 411.437 4.754 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)c1 59247986 ABFNRYHMNYNLIN-QINSGFPZSA-N 422.282 4.794 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccccc1F 408809426 HBCLBGLPDCUCSB-QGOAFFKASA-N 417.396 4.859 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 408962256 XRPYSFPUKNZRIC-LGMDPLHJSA-N 410.315 4.903 50 40 HJGB CN1/C(=C\C=N\NC(=O)COc2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21 4733681 KWDAZVUNSZUHEY-YQYZPIAVSA-N 418.324 4.786 50 40 HJGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccccc1OCCOc1ccccc1 107151772 PTLJQRUBSDQSPF-NKALOAKZSA-N 404.510 4.852 50 40 HJGB BrC1CCC([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1 195768636 NUDZWEKMDFYPHW-UHFFFAOYSA-N 421.454 4.865 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 252507871 WVNYCGJEYLXAHI-XMHGGMMESA-N 400.434 4.841 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1C 408773652 SNJXHEVFBOXITF-PDGQHHTCSA-N 414.421 4.945 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c1 408996913 KKQJPRREQIREBX-RVDMUPIBSA-N 412.873 4.742 50 40 HJGB C=CCc1cccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1O 892423 XLSDDZYGNPAVCS-ZVHZXABRSA-N 416.506 4.593 50 40 HJGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 1294921 AEWXROXKBDCEFN-HMMYKYKNSA-N 414.509 4.617 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC#N 32654837 ZRASIWRRSOYVPX-YSMPRRRNSA-N 413.433 4.651 50 40 HJGB COc1ccc(CCNC(=O)/C(C#N)=C\c2cc(-c3cccs3)cs2)cc1OC 58201012 VQKOEBAZSNFPBN-WJDWOHSUSA-N 424.547 4.760 50 40 HJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(N2Cc3ccccc3C2)cc1 58871919 YZBIAQANCQSMLQ-JFLMPSFJSA-N 407.473 4.830 50 40 HJGB O=C(O)CSc1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104367686 XXDBHMXPCFIZMH-XKZIYDEJSA-N 411.354 4.898 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(O)cc1 408787967 HUZBGSUCYHCJMQ-SDNWHVSQSA-N 409.239 4.960 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1 408853458 SZFGNMNVCHHMKU-PKAZHMFMSA-N 423.472 4.915 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OC 409309679 KVTZUFZCYYGUMC-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1cccc2ccccc12 409370086 KTKAISGZLAUYNC-OGLMXYFKSA-N 415.537 4.791 50 40 HJGB O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccc2ccccc2c1 2314376 VBGBVMWHSVMVRZ-RPPGKUMJSA-N 420.831 4.979 50 40 HJGB COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(Cl)cc1Cl 5351992 XYNPMJAUBLUXRW-KSEXSDGBSA-N 403.265 4.684 50 40 HJGB Cc1cc(C)nc(NNC(=O)c2ccccc2CSc2nc3ccccc3s2)n1 12849095 STQSRQATDPDUHS-UHFFFAOYSA-N 421.551 4.752 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1 20132403 WWTANYISVPWXCK-CQSZACIVSA-N 405.317 4.987 50 40 HJGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccccc4F)cc3C2)cc1 58872032 DIIHBDOUJXCOOC-VULFUBBASA-N 403.457 4.509 50 40 HJGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)ccc1C 59472535 PIURGXJSPFHCEV-YZSQISJMSA-N 410.477 4.620 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1 408588157 ICTNSDRCPPAGLC-WPWMEQJKSA-N 411.505 4.949 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCc1cccs1 781423 WLGWDDFZIWGQOC-MDWZMJQESA-N 412.854 4.583 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1O 5155503 RWXIVSSHRZCQCL-NTUHNPAUSA-N 411.255 4.743 50 40 HJGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 38379313 JXAIIDVFECXDAE-KSEXSDGBSA-N 413.264 4.973 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)o1 252492441 MMHVUDSVLWBILX-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB CO[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 408720097 RZUMFDXTEZYTEE-BHSKHCGUSA-N 408.885 4.757 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccc1F 408904626 MJBCBBJYDLXAOH-MSXFZWOLSA-N 420.400 4.652 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3)c2C)c(C)c1 408933006 GNSNBYKZQZNEHQ-QFEZKATASA-N 418.497 4.653 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc1Cl 409201710 XKDRAEKEFXCOJV-ODDBZWQPSA-N 404.901 4.813 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCCC)cc1 2176402 LZIAVWGBJWIUOI-HYARGMPZSA-N 417.303 4.567 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1 5457841 ZNKHKGFVHIMURB-LJQANCHMSA-N 418.522 4.806 50 40 HJGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151741 WLEOGTVAELHJPK-NTCAYCPXSA-N 406.511 4.628 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 70691723 WCCVKAYHSCWCEN-LZJSAYCXSA-N 404.547 4.944 50 40 HJGB biogenic CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3073371 SLADYFWLWSRJSN-GOSISDBHSA-N 419.264 4.898 50 40 HJGB COc1ccc(-c2c(C)c3ccc(OCCBr)cc3oc2=O)cc1OC 9435876 JGELLEXHJBSWKU-UHFFFAOYSA-N 419.271 4.559 50 40 HJGB biogenic C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)Cc1ccc(Cl)cc1 100929957 JSLQOYPUAPWYRF-FOKLQQMPSA-N 412.704 4.710 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1 408796424 ODGBDFIPXVKDMK-KGENOOAVSA-N 412.445 4.818 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 954243 HITDTKXXVZXRJK-GZTJUZNOSA-N 407.470 4.817 50 40 HJGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 4738858 JEXGZJNZBSUASU-WYMPLXKRSA-N 409.873 4.518 50 40 HJGB CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(F)cc3)cs1)OCO2 4812622 WMNHPQYMMFEJQE-NTEUORMPSA-N 407.426 4.857 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1)c1ccccc1 17092594 CXAHPBVCSGRQMK-RQNDZEIBSA-N 421.298 4.624 50 40 HJGB Cc1cc(C)cc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c1 27904121 BQHSZOXGRBOXHA-RCCKNPSSSA-N 416.477 4.578 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2ccccc2cc1OC 33668969 PZZLLDMSQNRJAQ-YZSQISJMSA-N 417.509 4.611 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@]34C)[C@@H]1CC[C@@H]2O 118933778 ZAQOQSOUOGJYLA-OOYRVPONSA-N 409.574 4.571 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 409205986 LHIXMUMBFPEVIQ-JSPCPOQUSA-N 410.452 4.586 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc2ncccc12 948737 PSDRLQLJDFAWDT-CAPFRKAQSA-N 419.440 5.000 50 40 HJGB CCOc1cc(NC(=O)c2ccc(Cl)cc2)c(OCC)cc1NC(=O)CCl 1223648 NQHOEUWCHWHVQZ-UHFFFAOYSA-N 411.285 4.567 50 40 HJGB O=C(NNC(=S)Nc1ccccc1)c1ccc(-c2ccccc2C(F)(F)F)o1 4514061 YFQLEHZLQHPTEI-UHFFFAOYSA-N 405.401 4.597 50 40 HJGB CCc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1 9087361 LQDZWGWJMGCRMI-UXHICEINSA-N 406.507 4.760 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1 17089169 OSDUTAAAZFIDNQ-KQWNVCNZSA-N 412.489 4.540 50 40 HJGB CN1/C(=C\C(=O)COC(=O)/C(C#N)=C\c2ccc(Cl)cc2)C(C)(C)c2ccccc21 33559863 LJFQERSHAXYARA-AMUIBEBISA-N 420.896 4.671 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118919457 GFJOPLHDGOHLPB-YRPKIOKNSA-N 415.578 4.541 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409135992 VMYHUZSTBUDYIJ-OAQYLSRUSA-N 424.859 4.873 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 409185900 SHDXMCCZYIBHEV-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccccc1F 409238284 DCFFKNPXGMSQQF-MBTHVWNTSA-N 417.459 4.969 50 40 HJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1 658121 ZKDMDXJVMLGCDY-ZMOGYAJESA-N 420.812 4.676 50 40 HJGB COc1cccc(C(=O)N/N=C/c2ccc(Sc3cccc4cccnc34)o2)c1 1434253 HBNMPXPCVDGMCG-ZVHZXABRSA-N 403.463 4.752 50 40 HJGB Cc1cc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1 3300549 KIMMAOKJZFWKRK-UHFFFAOYSA-N 423.516 4.765 50 40 HJGB C=CCn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 6363073 DMXSJOOIBJLUJY-WSDLNYQXSA-N 404.451 4.714 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc(Cl)c1Cl 8748201 OLCIWXPATUYMHR-AWEZNQCLSA-N 401.274 4.786 50 40 HJGB C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 17090491 TZPYVHUHVUSCLO-MSXFZWOLSA-N 416.264 4.993 50 40 HJGB CCOc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)ccc1O 20247348 WIXJDJQVBPUCPY-AFUMVMLFSA-N 418.518 4.744 50 40 HJGB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)CCl)cc2s1 59472567 JOUQGBYJXXFBNX-UHFFFAOYSA-N 419.959 4.821 50 40 HJGB C[C@]12CC[C@H]3[C@@H]([C@@H](CCl)CC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1 77285712 YGBFZJNESAZJNB-WUVPQEDYSA-N 402.962 4.915 50 40 HJGB in-vitro CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408581151 GUXNYGXRURKLMZ-OVCLIPMQSA-N 418.287 4.938 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl 409013302 MUFVZOGWDYMVJX-SRRANQMSSA-N 421.906 4.668 50 40 HJGB O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1cc2cc(Br)ccc2o1 6243352 KHTRFGLXAMLIKH-MTJSOVHGSA-N 416.275 4.543 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1cccc(Cl)c1 13898892 ODSNMOGSHYVCIJ-GZTJUZNOSA-N 419.868 4.991 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1 209280383 YIWBIUCKEHBODB-UYRXBGFRSA-N 402.425 4.959 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)cc1C 408815289 IZBISRXERHPUES-GDNBJRDFSA-N 414.303 4.805 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)c1 408968986 FGXVGNVUEHVVLD-CVKSISIWSA-N 416.525 4.615 50 40 HJGB CC(C)(C)c1ccc(OCCOc2c(Cl)cc(/C=N/NC(N)=O)cc2Cl)cc1 9057088 QRJQLFUATAPKNL-WYMPLXKRSA-N 424.328 4.751 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 59334487 MVRJJUCOEGGKQT-STZFKDTASA-N 417.484 4.807 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](C)[C@](OO)(C(C)=O)[C@@]4(C)CC[C@H]32)C1 70691726 WCCVKAYHSCWCEN-JZAAHELRSA-N 404.547 4.944 50 40 HJGB biogenic CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc21 208438644 VZYJDRPRUKPUCV-YDZHTSKRSA-N 412.331 4.845 50 40 HJGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794753 JXSVFLAOJGLDDJ-LDADJPATSA-N 417.396 4.859 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OCC 408813012 CSTXHGIAWPCCQE-WOJGMQOQSA-N 408.885 4.913 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409239011 YJVBPUCHSCLFBZ-DICXZTSXSA-N 415.468 4.910 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OC(C)C)c1 409363178 UWJFHIWCHJUKHK-WSDLNYQXSA-N 419.319 4.787 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)N1CCCC1 16438017 NVUOJWJILHENNH-LDADJPATSA-N 411.299 4.557 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OC(C)C 20195253 BBJIALLSZKIKJQ-ZMOGYAJESA-N 402.922 4.836 50 40 HJGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 58883481 VEEKDNWEKADXNN-YZSQISJMSA-N 415.493 4.865 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC[C@@H](O)c3ccccc3)c2C)c1C 83311201 SWRWGXROVNWYRZ-NHVVDLMHSA-N 403.526 4.675 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1OC 408743461 AJAIWKOSICBQLC-YBEGLDIGSA-N 412.873 4.858 50 40 HJGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)c1 3234623 GTAPYAIIWYXPPJ-VULFUBBASA-N 418.493 4.873 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 3335339 NKGLUXQUDPWXDT-KBKYJPHKSA-N 420.822 4.925 50 40 HJGB C=Cn1c(-c2ccccc2)c(C)s/c1=N/NC(=O)c1ccc(Br)cc1 6184747 SIZZYBVJJWFRKF-ZBJSNUHESA-N 414.328 4.634 50 40 HJGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccc(F)cc1 8812303 AJQZFWGJVMTNBE-BRJLIKDPSA-N 400.812 4.961 50 40 HJGB COc1ccc(OC)c([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 43716686 YNZLOVKLANRPRD-LDJQZATESA-N 416.525 4.570 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)cc1 408772748 MXYCRHXULOORCD-TWNMGODISA-N 420.520 4.610 50 40 HJGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408904523 KVKZYMYGPUJLOF-QRVIBDJDSA-N 403.394 4.657 50 40 HJGB Cc1cccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)c1 409093673 AGPKJDNQDQXSFD-XMMPIXPASA-N 412.445 4.521 50 40 HJGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3cccc(N(C)C)c3)cc2)cc1 409245739 YKGFPNRCJNZCKM-XYGWBWBKSA-N 419.550 4.741 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(O)cc1 1100250 CWZNTDQFZCNZLJ-KGENOOAVSA-N 424.504 4.547 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 8117057 KLCHPJCWIJDYSH-MFKUBSTISA-N 408.885 4.620 50 40 HJGB O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 8691534 QURGAZDGMITPFZ-UHFFFAOYSA-N 408.232 4.644 50 40 HJGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 15057316 AJRFVBUEDXJLJW-DHDCSXOGSA-N 401.403 4.889 50 40 HJGB CCCCCOc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851904 JRIAUUOFDOMHKZ-XXBNENTESA-N 416.525 4.858 50 40 HJGB CCn1c(SCC(=O)N/N=C\c2ccc(C(C)C)cc2)nnc1-c1ccc(C)cc1 30742599 GNJGABYDBWDLHY-OYKKKHCWSA-N 421.570 4.639 50 40 HJGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 408816926 KGYCXCXIWTXXHC-ODLFYWEKSA-N 417.440 4.786 50 40 HJGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(-c2ccc(C)c(C(=O)O)c2)o1 408857057 KMSFWUPRHUMZBO-QRVIBDJDSA-N 407.426 4.508 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccc2n1Cc1ccccc1Cl 409143816 IIGPGFVWHKNAGN-VULFUBBASA-N 402.885 4.810 50 40 HJGB Cc1ccc(COc2cccc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2)cc1 2078274 NKQYQCAINXKKAN-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 4550468 PYVJGHWRQWPMPV-GHRIWEEISA-N 410.315 4.985 50 40 HJGB CC(=O)NC1=C(C#N)[C@H](c2ccc(Br)cc2)c2c(ccc3ccccc23)O1 36612547 MKDPZPPUDLQFHM-FQEVSTJZSA-N 419.278 4.998 50 40 HJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c1 44835520 ULGCZOBSZNWRMQ-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COc1cc(/C=N/NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)ccc1O 100490034 UIPLLABJHFBIQN-PCFARZDDSA-N 418.537 4.698 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OC 107765806 BAYCDMAKAROGKZ-NVNXTCNLSA-N 402.244 4.619 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccccc1Br 8812242 DOPYFOWKYJWKSZ-FSJBWODESA-N 414.278 4.760 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC(=O)c1cccs1 9631427 IQUZKTAGZPLLDM-CEWLDGSWSA-N 424.522 4.578 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1cc(Cl)ccc1Cl 58917677 NJPCADSBZSIFKQ-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)cc1 408542809 LECNQRQRNIZNKU-VBKFSLOCSA-N 404.447 4.983 50 40 HJGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408746034 QJGLIOQOGPTFAS-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1O[C@H](C)CC 408968218 UUAFVDMHNKHHAE-CJCQAYSXSA-N 417.868 4.691 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1C 408996174 OMBFGZOOVYZJPY-DHRITJCHSA-N 409.917 4.893 50 40 HJGB O=C(N/N=C/c1cccc(Cl)c1Cl)C(Oc1ccccc1)Oc1ccccc1 3088775 SCGOWBKBQWVLHT-ZVHZXABRSA-N 415.276 4.928 50 40 HJGB C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(F)cc1 4700518 JVZJACMXURVAFE-ITYLOYPMSA-N 403.457 4.811 50 40 HJGB COc1ccc(Br)cc1/C=N\NC(=O)C(c1ccccc1)c1ccccc1 33400785 GQJXAVVXFXMRJS-IWIPYMOSSA-N 423.310 4.740 50 40 HJGB CCN(C(=O)c1ccc(NC(=O)CBr)cc1)c1cccc2ccccc12 35605456 LUHDXKAAKHLBCT-UHFFFAOYSA-N 411.299 4.840 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 409064641 DTYGUSHUSRHWEA-LDADJPATSA-N 406.869 4.635 50 40 HJGB CCc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 872611 DOFJKEUJPLQJDU-LJQANCHMSA-N 407.901 4.901 50 40 HJGB N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)NC1CC1 872836 NQLVLRVAJSWKMN-DTQAZKPQSA-N 405.885 4.559 50 40 HJGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 1740693 RPAPNLQSYUHEIN-SDNWHVSQSA-N 416.418 4.801 50 40 HJGB C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)C(c1ccccc1)c1ccccc1 4904490 ROPUBKRUQOXYSW-WDMWBOBFSA-N 413.521 4.578 50 40 HJGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C)cc4)CC(=O)N3C2)cc1 6803939 JAJIYIXBFXIPJF-FQEVSTJZSA-N 405.523 4.613 50 40 HJGB O=C(NN=C(c1ccc(O)cc1)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 13322346 YRWAURRRBYOVBP-UHFFFAOYSA-N 422.484 4.799 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1[N+](=O)[O-] 59473325 HEBFRCQGHYLTOF-OEAKJJBVSA-N 421.478 4.660 50 40 HJGB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914923 HYXUDBBVUZEPTI-UGEUXRSDSA-N 411.380 4.903 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408527206 FKNGEKBZWXVVQN-VULFUBBASA-N 407.901 4.790 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1C#N 408743539 AXOLLUXNOQIMOL-XKZIYDEJSA-N 423.472 5.000 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 2630511 BCNLCUFGFQQWSA-SDNWHVSQSA-N 410.836 4.528 50 40 HJGB CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1C(=O)O 8399375 HOTPDDJKZSRHPZ-XQNSMLJCSA-N 406.523 4.773 50 40 HJGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204173 IRSQDNUUMCMGOO-CIAFOILYSA-N 409.711 4.584 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)cc3C)o2)ccc1Cl 20194352 DUQAHWXLQGXDDV-DHRITJCHSA-N 424.884 4.696 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(OC)c1 59473547 OHCDNXHCLZIRFE-MFKUBSTISA-N 420.534 4.901 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1F 59534328 BBPXGKYCEXYUMK-WOJGMQOQSA-N 422.481 4.698 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 408530124 LFUWDMMEWKNCDA-VULFUBBASA-N 407.901 4.790 50 40 HJGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409194719 QLFCIDZCZUBIOB-MLJKTZRHSA-N 421.335 4.601 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCc1ccccc1 5234251 PVOKOVWSCJYZKP-XNTDXEJSSA-N 407.813 4.732 50 40 HJGB N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CC1 5900172 FANVAPVXFNMXKR-DTQAZKPQSA-N 405.885 4.559 50 40 HJGB COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(O)c(Br)c3)[nH]c2c1 9263562 JPZCFSVEXLDREE-ONNFQVAWSA-N 404.651 4.757 50 40 HJGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20133371 QSVCGHVHQVQCNT-SECBINFHSA-N 410.106 4.556 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc1 20764861 NRZIACOIDMCCBS-YDZHTSKRSA-N 404.894 4.689 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCc1ccccc1 23382629 HJXDPQUBRKKHJR-CJLVFECKSA-N 400.453 4.671 50 40 HJGB C=CCc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(OCC)c1O 59678990 NZOVMHFKFRURGG-WGOQTCKBSA-N 417.509 4.691 50 40 HJGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408791143 UTGDUYSJXDIRPX-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB O=C(Cc1ccccc1)N/N=C\c1cc(Br)c(Sc2ccccc2)o1 408998429 QJUFQTPEXJEIER-BKUYFWCQSA-N 415.312 4.886 50 40 HJGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc2ccccc2c1 4739587 JLWMCBVTCPCEHT-AFUMVMLFSA-N 412.405 4.699 50 40 HJGB O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CN2CCc3ccccc3C2)cc1 19818071 AVYQERGHOWTLSL-CVKSISIWSA-N 403.913 4.662 50 40 HJGB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 77269707 KIYCCKUSMYHYMN-PMFAJICFSA-N 411.380 4.903 50 40 HJGB in-vitro O=C(N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 408975465 KQUGBNNFWYWSTE-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC 409393213 VQXSSUBOUASPFC-DHDCSXOGSA-N 407.857 4.700 50 40 HJGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 951076 UZXAIMJBVFRXDI-KGENOOAVSA-N 413.429 4.661 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)cc1 2346055 MXBGTYJAXLURBO-WGOQTCKBSA-N 416.477 4.558 50 40 HJGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1 3022899 PHSOLJSKORMKML-BUVRLJJBSA-N 401.938 4.804 50 40 HJGB COc1cccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1 4923420 CDCUTILGYCZOHG-HXUWFJFHSA-N 405.523 4.532 50 40 HJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(N2CCCCC2)cc1 6407080 HTPNZUNEOCNZMR-HYARGMPZSA-N 410.568 4.529 50 40 HJGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 45887750 AOVYDNIOGFFTSU-JTQLQIEISA-N 409.656 4.920 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 59445283 YNFGVXRSPOYCGZ-DHRITJCHSA-N 412.848 4.831 50 40 HJGB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C[C@@H](Br)CBr 103535285 AHTPPTHIVBKMAO-GSVOUGTGSA-N 417.944 4.963 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCCc1ccccc1 408802224 YNNFKTORKLJIAF-SFQUDFHCSA-N 421.840 4.774 50 40 HJGB Cn1c2ccccc2c2ccc([C@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc21 2759703 DZJKDBKSYUYFRM-RDPSFJRHSA-N 403.489 4.925 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 5713409 AVXNBAYOVPECSG-LGMDPLHJSA-N 402.406 4.589 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 34197040 DGDHPUVDUZJNRN-ZMFRSBBQSA-N 415.415 4.885 50 40 HJGB O=C(CCc1ccc(Cl)cc1Cl)NNC(=O)c1cc(Cl)ccc1Cl 58203096 XZTUABXJCXMRFJ-UHFFFAOYSA-N 406.096 4.694 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 408801674 WUXFZTAVBLIARW-JLHYYAGUSA-N 422.824 4.852 50 40 HJGB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1ccc([N+](=O)[O-])cc1 5798685 DSVLEFJAYNUWBQ-SFHVURJKSA-N 407.817 4.522 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccccc1Cl 33644104 CGZMCUYAZADJST-OYKKKHCWSA-N 423.856 4.520 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 58871621 XMSBGJNPCGRKAW-SRZZPIQSSA-N 415.858 4.751 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1 408964388 RHBGNDCGJZPLPI-BRJLIKDPSA-N 400.356 4.932 50 40 HJGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409213319 SIELWHNQLUULST-AUWJEWJLSA-N 421.236 4.908 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953639 BGUOSWMZYAVNMJ-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB CC[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(\C)c1ccc(Br)cc1 15931127 MOQAKKMXXUEHLT-QQZPLFJDSA-N 408.727 4.833 50 40 HJGB COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C(C)(C)C)cc1C 16283083 SNGUEOBBHWOJTE-YSMPRRRNSA-N 404.510 4.983 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)oc12 208200751 AAJPUTNRWIHPPS-CAUYNWHBSA-N 405.498 4.927 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2F)cc1 408874773 AOAJZPGFKAMUGQ-DEDYPNTBSA-N 416.452 4.979 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 409243660 XKXWIFXNBKUOMO-QSSXUJFUSA-N 412.537 4.945 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2064327 VCIYDRFDQZNQLA-NTCAYCPXSA-N 420.450 4.872 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 5773767 ABHONMJCQGVSRZ-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB C/C(=N/NC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 17091305 RODJYYNVYCNFIU-OPVMPGTRSA-N 418.202 4.648 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 20197293 KCLIAGMSDHWAFI-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 408833197 ZXLPDUZEVHAOSL-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1 3195521 GTOFVHDODJJHCS-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccccc1Cl 59334263 XDGXBWZBRWPXSC-NVNXTCNLSA-N 405.281 4.576 50 40 HJGB COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(CBr)ccn2)cc1 606241729 WUEIYIPUVOLPDP-UHFFFAOYSA-N 407.308 4.927 50 40 HJGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 2272652 VPVJZULACBDSAG-OAQYLSRUSA-N 423.428 4.697 50 40 HJGB COC(=O)N/N=C/c1cc(Cl)c(OCCCOc2cc(C)cc(C)c2)c(OC)c1 4672622 IGSBTPZOPAMSAD-YDZHTSKRSA-N 420.893 4.503 50 40 HJGB CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 4705104 VOIXWZYGJJTFOJ-HYARGMPZSA-N 419.319 4.547 50 40 HJGB Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 4746736 MYEPRVOSIOUMBQ-FSJBWODESA-N 412.287 4.580 50 40 HJGB C/C(=N\NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccc(Br)cc1 5739231 SLNVYOKTWQLCCN-LZCVXGSNSA-N 410.315 4.943 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccccc1Cl 59334848 OFLXIJIAAFVKEK-UNOMPAQXSA-N 410.901 4.651 50 40 HJGB Cn1c(C(=O)NNC(=S)Nc2ccccc2)ccc1-c1cc(Cl)ccc1Cl 67299991 JVIJQLQNZBJVTD-UHFFFAOYSA-N 419.337 4.630 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N\NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 118933777 ZAQOQSOUOGJYLA-OVYBYTGTSA-N 409.574 4.571 50 40 HJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1cccc(C#N)c1 408565982 CSDVHZIKGJZTRS-ACAGNQJTSA-N 404.061 4.853 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c1 408745920 WLNHWTQTNBUKMN-PDGQHHTCSA-N 400.434 4.896 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1ccccc1 408894971 LHMCMRFNMJVIGY-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(F)cc1 1100172 CFUZWUZUJWAUAL-FSJBWODESA-N 414.278 4.760 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 5799325 IHLHHTJGNXIBQH-SFHVURJKSA-N 406.873 4.737 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(C)C 14151900 IKTBKJUEUCUXSZ-MHWRWJLKSA-N 421.522 4.840 50 40 HJGB Cc1cccc(COc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)c1 408916148 VFAPOHDMDRAVPW-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OC 409392783 NPYBJDLTQMXXAZ-AUWJEWJLSA-N 423.225 4.902 50 40 HJGB Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3C4CC5CC(C4)CC3C5)cc2)n1 5164295 LOIRXEXKGVABPO-UHFFFAOYSA-N 420.582 4.928 50 40 HJGB C[C@@H]1CCc2nc(/C(C#N)=C\c3ccccc3I)sc2C1 5673012 JYXWQERMWCQRNU-NASPGAHYSA-N 406.292 4.937 50 40 HJGB O=C(NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc2ccccc12 31670813 DFHRWTKCODCQJH-UHFFFAOYSA-N 405.461 4.844 50 40 HJGB O=C(N/N=C/c1ccc(N2CCCCCC2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33563988 MLQWDYAKRFJSTH-FYJGNVAPSA-N 412.471 4.547 50 40 HJGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408904840 PJEQWYDHIKYWJK-KBBBKPDDSA-N 415.833 4.936 50 40 HJGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 408992558 ALWGFBCGKOFYGA-DHRITJCHSA-N 409.917 4.893 50 40 HJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(C)cc1 804773 KJOQDGLMNALKCX-DEOSSOPVSA-N 414.461 4.506 50 40 HJGB COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 4422329 ZXMFXHVVESFUQY-CXUHLZMHSA-N 416.458 4.998 50 40 HJGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl 7750846 PIDFIWLJXVQKAA-KPKJPENVSA-N 407.253 4.565 50 40 HJGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl 9693315 SEAKLQVMZKTXRI-LBPRGKRZSA-N 417.868 4.838 50 40 HJGB CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 33563525 NSTYNKVCMRPJOV-XKZIYDEJSA-N 419.319 4.709 50 40 HJGB CCOC(=O)C1=C(C)OC(/N=C(\S)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 39379142 ZVFJBEOJVBVTLF-FQEVSTJZSA-N 419.506 4.771 50 40 HJGB N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 40139572 RGTMPSFKHWTIMG-XYOKQWHBSA-N 400.385 4.770 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(N(C)C)cc1 408853390 OHURFCCEENPUCX-MYYYXRDXSA-N 400.482 4.670 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(C3CCCCC3)c2C)c(OC)c1 408865339 CEGRMWIJUBDEBT-FYJGNVAPSA-N 421.541 4.851 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408899185 ZSDVAOCJCNZNDK-XNTDXEJSSA-N 418.365 4.617 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Br 706094 ASNQDJBULPKYDI-JLTOFOAXSA-N 421.294 4.658 50 40 HJGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccccc4OC(F)F)[nH]c(=O)c23)C1 5695782 MRJMZLGKKMWGGM-GJSJWPQCSA-N 413.449 4.775 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)c1 9192960 ZGWPVZVMQNSWDP-QFIPXVFZSA-N 420.472 4.970 50 40 HJGB Cc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 2162143 XNNNIYDPMQHLQH-BHGWPJFGSA-N 418.444 4.907 50 40 HJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 4702491 NCBTYRYGMWLAAF-KOASKHKRSA-N 416.477 4.960 50 40 HJGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccccc4OC(F)F)[nH]c(=O)c23)C1 5695781 MRJMZLGKKMWGGM-VSXLWIIGSA-N 413.449 4.775 50 40 HJGB CCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20132622 OZBTYLRPKMPYPA-ZETCQYMHSA-N 410.106 4.700 50 40 HJGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 408600210 XBFGPRLVAPCQGL-WSDLNYQXSA-N 419.319 4.528 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC 408734420 GGAHOAGVTQDCAE-WUXMJOGZSA-N 421.678 4.665 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC 408747702 RRVJIRSEDDGTOI-GHXNOFRVSA-N 421.678 4.665 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)c(C)s1 806359 KFGBQAKVQOGDIT-AWEZNQCLSA-N 400.866 4.766 50 40 HJGB N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31820500 HKSAWVTYSXUVJS-JOCHJYFZSA-N 416.431 4.751 50 40 HJGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 59473063 YEAXCBLNVNUFRI-KOEQRZSOSA-N 418.518 4.904 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC 59484026 XXZMXSQVFYOTCA-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB O=c1oc2ccccc2n1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100676154 RQUHTXPXDMUWEQ-UHFFFAOYSA-N 410.433 4.546 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c(Cl)nc2c1 408728426 MCKCQXFKXUFESV-LSHDLFTRSA-N 420.321 4.793 50 40 HJGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 408898524 MBTKIAKNYUJCMG-HMMYKYKNSA-N 412.445 4.769 50 40 HJGB Cc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-] 409032553 JGSPKCSBABBVQY-MYYYXRDXSA-N 410.433 4.882 50 40 HJGB O=C(Cc1cccs1)N/N=C/c1ccc(OCCOc2ccc(Cl)cc2)cc1 409206070 MDNLZNJWUWWYPT-HZHRSRAPSA-N 414.914 4.552 50 40 HJGB CCOc1ccc([C@H](CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C)cn1 498050537 LVOQPODXLJKNOC-LMKMVOKYSA-N 400.661 4.595 50 40 HJGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)COc1ccc2ccccc2c1 8405156 SWNOGOKELGIVLF-CVKSISIWSA-N 423.900 4.701 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)c1 8811116 FKWKUMQULCONNV-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC 107842239 FPCIQYMKUXIIAR-HMAPJEAMSA-N 419.319 4.791 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 213140444 JMQOAJLRBGKJNF-VVZNPABPSA-N 400.434 4.518 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)Cc2ccc(C)c(C)c2)o1 408592086 XNEZTGONSYKBCS-CVKSISIWSA-N 412.493 4.750 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1 408814566 HIGSVJRHEQNTBB-UYRXBGFRSA-N 417.440 4.566 50 40 HJGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1 948757 LEBDYBQZMVSTKT-XMHGGMMESA-N 400.409 4.899 50 40 HJGB O=C(c1ccccc1O)[C@@H](Br)[C@H](Br)c1ccc(F)cc1 4277148 OYUFHINMSISLIY-KGLIPLIRSA-N 402.057 4.614 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1[N+](=O)[O-] 28217567 VCZIZRLLGQKVHW-FSJBWODESA-N 410.861 4.728 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c1 107988360 WVYNJNWDYPIVDT-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1 408751859 CYCJFKBNPAGILI-MHWRWJLKSA-N 416.262 4.960 50 40 HJGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc(Br)cc1 4380715 RIDNIIWFKHYSTN-RCCKNPSSSA-N 405.361 4.840 50 40 HJGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2C)cc1OCC 7349302 VIJSVIRBMDHUIJ-LPYMAVHISA-N 419.319 4.709 50 40 HJGB CCN(CC)c1ccc(C=NNC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 12465677 MVCNXDJGVNDKIO-UHFFFAOYSA-N 416.569 4.907 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(=O)O)c1 101507445 DCXMPQMEOZLRRE-VBKFSLOCSA-N 405.841 4.683 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 408718942 WZKQBGZFVPAYSD-IRNZPVQPSA-N 401.304 4.986 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(F)cc1 6571387 FCNWPLCTRQZRBP-VULFUBBASA-N 401.441 4.856 50 40 HJGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408816303 YGKMKFPTWYCYLO-WVRBRBFTSA-N 419.481 4.776 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(F)c(Cl)c1 4106975 KGORYWPAYTXTDW-KBKYJPHKSA-N 412.827 4.661 50 40 HJGB COc1ccc(-c2c(C)oc3cc(OCCBr)ccc3c2=O)cc1OC 9435578 LZFUAZYTFBTXDH-UHFFFAOYSA-N 419.271 4.559 50 40 HJGB biogenic N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12 102437624 VQQWRJDELHXVLF-SQFISAMPSA-N 410.389 4.949 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc(C(F)(F)F)c1 408893357 FFLVOWJMDLFIBM-IZZDOVSWSA-N 411.177 4.719 50 40 HJGB CC1(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)SCCS1 6348183 AEEJZIFCQPKQJU-OEAKJJBVSA-N 409.580 4.726 50 40 HJGB N#CC1=C2SC[C@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@H]1c1cccc(Cl)c1 12276160 FVOPLCVDGOADKO-JXFKEZNVSA-N 417.317 4.637 50 40 HJGB CCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1 20132515 MAHYBLGZDCKSBP-SECBINFHSA-N 406.143 4.869 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 59333714 HGTKTKVHHWNTKN-NVNXTCNLSA-N 405.281 4.576 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C 408591807 VGLQKTQPAZCBFA-ZMOGYAJESA-N 424.888 4.657 50 40 HJGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2)n1 408724417 JZCLZHLXRZOZOI-YZSQISJMSA-N 410.477 4.620 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1ccc(F)cc1 409063128 HLPBEZFETPBGMT-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccc([N+](=O)[O-])cc1 409201335 LOZUVEADCGOHTO-FOKLQQMPSA-N 403.316 4.638 50 40 HJGB C=CCN1C(c2ccc(OCC)cc2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2 3180217 LDSNGCZYDAXOBG-NMWGTECJSA-N 419.554 4.829 50 40 HJGB C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OCCCCC)cc2)c(OC)c1 5418803 PFKYLMKDUYOXJJ-KOEQRZSOSA-N 410.514 4.522 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCO2 8103800 CZYJHLFIEXNDAK-LSFURLLWSA-N 403.221 4.746 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1Br 8861606 KPYPYWNSVOZBFV-CNRHGSOZSA-N 421.360 4.620 50 40 HJGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccccc1Br 16137130 NSEVTBCAFQLPQS-ZVHZXABRSA-N 424.298 4.737 50 40 HJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 27015498 HPLHVKFYFYCIMX-MFKUBSTISA-N 400.869 4.957 50 40 HJGB O=C(Oc1cccc(/C=N\NC(=O)c2ccccc2-n2cccc2)c1)c1cccs1 30738393 IIKJXSCGSMQTFN-JLPGSUDCSA-N 415.474 4.522 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OC(C)=O 33333088 AQAVDFKQDGCWCU-QFEZKATASA-N 416.433 4.674 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1O 59336515 BRICLJJBULTVKS-ZROIWOOFSA-N 403.265 4.982 50 40 HJGB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1 96476358 CEARGPZKLJIVNW-QINSGFPZSA-N 422.282 4.794 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)cc1 223165519 CXOBXBWSOHLMQY-ZHZULCJRSA-N 415.493 4.965 50 40 HJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408755986 SRGPVWUILGTZSV-DHRITJCHSA-N 405.841 4.677 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCC 408961140 AMFJYUKCCHFCKK-BHGWPJFGSA-N 414.811 4.920 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1 409147240 XMTPQNHEFZWBNM-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(Cl)cc1 9665844 IFWFDVPCTVAIFJ-AUEPDCJTSA-N 421.715 4.964 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)c1 33702815 USKXTXAUSNISOP-STZFKDTASA-N 419.525 4.627 50 40 HJGB Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)c1sc2ccccc2c1Cl 83331451 NOWKNKIUCCOHFM-JJFYIABZSA-N 410.886 4.518 50 40 HJGB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100489981 KQIUUWBCHDIDOX-FNVNHVTFSA-N 417.509 4.892 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1 207157832 PMYGOVRRUMUGIG-SXGWCWSVSA-N 417.278 4.599 50 40 HJGB Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(C)cc3)c3ccccc32)cc1 408535688 ZQZLWFCEUOYNAD-RWPZCVJISA-N 410.521 4.869 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCC 409067581 FOHMEXRIDZQPSH-XMHGGMMESA-N 406.482 4.767 50 40 HJGB Cc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1 409197739 NPVJEJUZABWFFH-HMMYKYKNSA-N 418.518 4.738 50 40 HJGB COCCCNC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl 4544490 IKFACOXOCJSUDM-BOPFTXTBSA-N 419.308 4.632 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 15134400 XYLGTLOTMSTXFK-OGLMXYFKSA-N 423.472 4.621 50 40 HJGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104766003 ABRDUEJTWQGYBJ-OAQYLSRUSA-N 416.477 4.807 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1 408856428 JZQNKUXLYBPVLW-XFFZJAGNSA-N 424.092 4.913 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 408893844 GHCZFSUZRUYADG-QGOAFFKASA-N 416.408 4.649 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)c([N+](=O)[O-])c1 408897669 ZHXXBGADXFCIOW-BUVRLJJBSA-N 414.421 4.718 50 40 HJGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1 408981516 BMNLKXARMNXWBX-QPEQYQDCSA-N 405.679 4.965 50 40 HJGB Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)c1 606422286 JUAGDNJANNSPRO-QFIPXVFZSA-N 418.399 4.711 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2c(c1)OCCO2 1437607 XOAVAEDGTWDDHY-FOKLQQMPSA-N 417.248 4.789 50 40 HJGB O=C(N/N=C\c1ccc(Br)cc1)C1c2ccccc2Oc2ccccc21 30802664 RXULRWBXUMQEPG-QRVIBDJDSA-N 407.267 4.837 50 40 HJGB Cc1cccc(C(=O)Oc2ccc(/C=C(/C#N)S(=O)(=O)c3ccccc3)cc2)c1 32577824 TUTMPALSASOKGD-JCMHNJIXSA-N 403.459 4.553 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(OC)cc3)cc2[C@H](C)CC1(C)C 208316731 CBJKLFKGMZATEL-WTTSBOSASA-N 423.557 4.645 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)c(Cl)c1 408587136 QVYFQPNRCQMODI-OQLLNIDSSA-N 404.253 4.802 50 40 HJGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408805097 DPLUSWMRHUWHJS-IYKRSIQTSA-N 412.873 4.900 50 40 HJGB O=C(CCSc1ccc(Cl)cc1)NN=C1CCN(Cc2ccccc2)CC1 409331808 OBJOHUKYYAUSQP-UHFFFAOYSA-N 401.963 4.590 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409382141 YMNOWJVOQNNQJH-DEDYPNTBSA-N 412.468 4.924 50 40 HJGB Cc1ccc([C@@H](Br)[C@]2(Br)COc3ccccc3C2=O)cc1 2564989 MYIMIESVURRHAN-NVXWUHKLSA-N 410.105 4.840 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C 4705351 JCGMHKIAPHYZLM-FYJGNVAPSA-N 413.477 4.955 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCC(C)C 408798514 FTWIYERAXNKCJC-XDHOZWIPSA-N 408.498 4.983 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(F)c1 408968222 UUCDRPVQEANQMI-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccccc2Cl)sc2c1CC[C@H](C)C2 1768828 QDFDNPLERKAXKF-JHAVZTMOSA-N 419.934 4.859 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)cc1Br 8812163 MNONPTBFPSVCRN-SSDVNMTOSA-N 401.235 4.921 50 40 HJGB CCOc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 33408247 LUVWJAPHOAPEDJ-ZDLGFXPLSA-N 406.869 4.863 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 39884418 HEBRPUIUFDDKKZ-NTCAYCPXSA-N 403.394 4.718 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2[C@H](C)CC1(C)C 208323255 ISXLNWCEELWBMQ-FELJGRNJSA-N 407.558 4.809 50 40 HJGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 788999 BYIRIXVAWMMZDP-HXUWFJFHSA-N 410.470 4.589 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 853121 NUIXLUIVTQBUEL-UKTHLTGXSA-N 404.695 4.714 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2noc(-c3ccccc3)c2c1 3407916 NWUMPDTUDKEOTB-NRFANRHFSA-N 411.461 4.946 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)o1 13546351 MDSPHLFCTUDYCT-PTNGSMBKSA-N 403.394 4.718 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2nc(Cl)ncc2F)cc1 16248104 GCFVEHRHJILDRQ-UVTDQMKNSA-N 424.819 4.616 50 40 HJGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)C(=O)NC1CCCCC1 33414597 WRLAHLPWGRLMSS-UVTDQMKNSA-N 403.313 4.843 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3ccccc3)c2C)cc1 223168385 UPRWTYURQXVIBM-QJOMJCCJSA-N 413.521 4.759 50 40 HJGB COc1ccccc1C(=O)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 408949234 FCTGUEOMCBVJPV-WGARJPEWSA-N 401.441 4.601 50 40 HJGB Cc1ccc2nc(SCC(=O)N/N=C/c3c(C)[nH]c4ccccc34)cc(C)c2c1 871022 POIJKJOJTUAABF-WYMPLXKRSA-N 402.523 4.884 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 3412972 MHUCDQUONAVRKW-MFKUBSTISA-N 421.884 4.755 50 40 HJGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 4743403 VUYPYKMQZKEHOD-NRFANRHFSA-N 419.506 4.599 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cc(C)cc23)cc1 5006998 BFBHWOPIGYYYOX-ZMOGYAJESA-N 407.539 4.801 50 40 HJGB COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(OC)c1 20247338 KUWZHSWJCNTLRT-AFUMVMLFSA-N 418.518 4.657 50 40 HJGB COc1cccc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c1 96669734 JWBJNRNXQLTTGB-MOSHPQCFSA-N 406.445 4.733 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1O 216028399 QPJGSTCURQWODY-GHXNOFRVSA-N 421.678 4.752 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccc(OC)cc23)cc1 408794037 HOOTYXVYYJDFDB-GHRIWEEISA-N 402.450 4.801 50 40 HJGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 408893900 GSZPPLGWNZHAKM-FOWTUZBSSA-N 424.241 4.990 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(Cl)cccc1Cl 408925054 SNMOJGPVAXFONL-UFWORHAWSA-N 402.075 4.528 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Cl)cc1 409369544 CRMZTCKMOVUOJQ-YBFXNURJSA-N 421.884 4.988 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(F)cc1 8812396 IAMDHTDSNCKTAH-VULFUBBASA-N 410.420 4.706 50 40 HJGB CCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC 409390924 GGMIPQXJBKCTJE-ITYLOYPMSA-N 402.494 4.766 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)o2)c(C)c1 409393180 VDLWIPJFDSVHRN-WJDWOHSUSA-N 413.433 4.991 50 40 HJGB COc1cccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c1 4576088 CPHOZLMBINWYMA-XIEYBQDHSA-N 419.481 4.699 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 4778782 USLJDASSZRUUSR-MMDHUZEPSA-N 424.932 4.877 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(Cl)c1 8043205 ZNXHOWGQLOIPFG-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c2C)cc1C 28217459 PFEOJXISUZXJHO-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB Cc1cccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1 1257857 KWLOBYYUKUEMEZ-JVWAILMASA-N 411.505 4.836 50 40 HJGB CCCCOc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 6651791 AWHYFLQOQOSXQB-BUVRLJJBSA-N 410.470 4.783 50 40 HJGB CCC[C@@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20132624 RZRVJFVGZGFROR-SSDOTTSWSA-N 410.106 4.700 50 40 HJGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C1/CCCc2ccccc21 33773570 SEGJGDJVVDUQSF-LCUIJRPUSA-N 400.478 4.501 50 40 HJGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N 408609383 ZXZPHOYYGLEHPF-LJQANCHMSA-N 410.543 4.538 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C 408742888 CMNQKRZFDGZOTQ-ZHZULCJRSA-N 413.477 4.735 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408796707 OVOGHBVBLUGESV-NTEUORMPSA-N 415.674 4.660 50 40 HJGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(I)cc1 409367902 JFNZJABFFCQWAB-GHXNOFRVSA-N 410.598 4.917 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OC[C@@H]3CC3(Cl)Cl)c2C)cc1 15354854 QXXGDAVKZHPFBX-NDCSFFLDSA-N 419.308 4.747 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 34718967 SALVGBWHDWSHKC-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB CC1(C)CC(=O)C(=CNc2cccc(NC3=C(C#N)C(=O)CC(C)(C)C3)c2)C(=O)C1 100288909 RMXKEWDYNHIRPG-UHFFFAOYSA-N 405.498 4.519 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=C2C(=O)Nc3ccccc32)cc1 408851917 HHLUPYBBPQWRQX-UHFFFAOYSA-N 420.472 4.539 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 1192045 YOOMBTRYMNTWDC-NTCAYCPXSA-N 403.394 4.718 50 40 HJGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(F)cc4)cc3C2)cc1 58872031 GNGMHPGKRJVOHK-VULFUBBASA-N 403.457 4.509 50 40 HJGB Cc1ccc(Cn2cc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 408565850 BKUXJYUVUVWESP-QFEZKATASA-N 412.449 4.670 50 40 HJGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 408768178 COUPZRCDIRVKGH-ATVHPVEESA-N 400.320 4.632 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCC 409188452 ZGKUTPWVQMUBJZ-MYYYXRDXSA-N 422.481 4.731 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc(OC)c1OC(F)F 40139870 NSQWLGQMCCYHCC-VGOFMYFVSA-N 412.392 4.885 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1 59224536 NBYZLDBLUOAYNT-XMHGGMMESA-N 402.425 4.959 50 40 HJGB C[C@]12CC[C@H]3[C@@H]([C@@H](CCl)CC4=CC(=O)CC[C@@]43C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 77285710 YGBFZJNESAZJNB-MQSRJSRPSA-N 402.962 4.915 50 40 HJGB in-vitro O=C(c1cccs1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 96021450 HZCLDLYHKDRQII-VXGBXAGGSA-N 419.094 4.739 50 40 HJGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223564046 IIAABCSAEANSLY-FELJGRNJSA-N 407.558 4.889 50 40 HJGB C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409210289 JCKXCAFFHTVHEV-DHDCSXOGSA-N 415.243 4.995 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@H]2c1cccs1 707323 BSEPECNZEMTLNK-FQEVSTJZSA-N 400.507 4.561 50 40 HJGB COCCNC(=O)/C(C#N)=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 2315391 SAQGNXNNCMMNKT-RCCKNPSSSA-N 409.489 4.512 50 40 HJGB Clc1ccc(C2OC[C@H](Br)[C@@H](Br)CO2)c(Cl)c1 3047697 HGAWYKFXGMWDSI-IUCAKERBSA-N 404.913 4.566 50 40 HJGB COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 4923293 WMXQVPANANUCGV-IBGZPJMESA-N 405.523 4.532 50 40 HJGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(Cl)cc1Cl 13301492 CVQGRFCOWJKYGR-LKUDQCMESA-N 424.287 4.674 50 40 HJGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1 408887124 MFPQQEBWDMUZAF-XSFVSMFZSA-N 412.445 4.818 50 40 HJGB CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)CCCCl)c1ccccc1F)C2 95933550 QQRQUTSPQINSKG-HXUWFJFHSA-N 409.910 4.500 50 40 HJGB in-vitro O=C(CCCl)Nc1cccc(/C=C\C(=O)c2ccccc2NC(=O)CCCl)c1 104274996 XSLURPNBXOHOBQ-HJWRWDBZSA-N 419.308 4.718 50 40 HJGB Cc1ccccc1COc1ccc(/C=C/C(=O)Cl)cc1I 226333013 UOVORAKIIXAIJG-VQHVLOKHSA-N 412.654 4.957 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1 408526682 DADSXKCUIXPXRN-RWPZCVJISA-N 410.521 4.869 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904599 MAPGXFHEPUGGEO-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1 8372100 DCANLFBJFOOTTP-QFEZKATASA-N 406.869 4.940 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(F)cc1 40006593 PUJZPOAPVIAQIO-XDHOZWIPSA-N 420.440 4.620 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2C(C)=CC1(C)C 208504669 POCUDNDCYBBJRJ-QFEZKATASA-N 411.933 4.891 50 40 HJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408754511 KOSZRVMPHFFJPG-VBKFSLOCSA-N 401.378 4.603 50 40 HJGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 409116795 LSNHUDKOUBWUGF-NSMHLIOHSA-N 409.467 4.794 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 409192163 AZNYBACKJKLPFG-DHRITJCHSA-N 412.848 4.831 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(OC)c1OC 9330102 CIPBUIKBZWMZNG-NVNXTCNLSA-N 423.450 4.808 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 28217265 COWIBQHLQQYLMS-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)n1 408978434 MAHYMOLAWPWTRJ-CIAFOILYSA-N 405.461 4.622 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)O 409389918 CWPCOUBRKRELPV-NSIKDUERSA-N 420.234 4.514 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)c1 15018730 XEAMKNNLPFWBLA-KSEXSDGBSA-N 417.248 4.804 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 83311564 KPBWJJLUQDUMHK-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCc1ccccc1 83318231 YRWXRYXYOQMKKF-MYYYXRDXSA-N 400.434 4.784 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(Cl)cc1 108149546 XJGQITCKYREGBJ-OYKKKHCWSA-N 423.856 4.520 50 40 HJGB CCOC(=O)N/N=C(/C)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918444 LJXRMMRZNQCIDI-DDQCMZNNSA-N 400.563 4.968 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)c1C 211573525 PAYBKDCSSSGXPR-ZSOIEALJSA-N 400.232 4.520 50 40 HJGB Cc1cccc(C)c1NCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 4077275 MBXGTYJADIIJPX-RWPZCVJISA-N 410.521 4.869 50 40 HJGB C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)C2CCCCC2)c1 5381114 AMFFRPPWTVLDDJ-YUMHPJSZSA-N 402.498 4.841 50 40 HJGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3cc(C)ccc3C)o2)cc1Cl 14010375 WXNBHZOHEUAQNX-MSXFZWOLSA-N 412.873 4.755 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(=O)c1ccncc1 118917681 AUKSBJWTRCVBGS-HQTWARCRSA-N 409.574 4.571 50 40 HJGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1Cl 409266994 ZSTXBVJXTYMCMY-SSDVNMTOSA-N 412.704 4.906 50 40 HJGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(F)(F)C(F)(F)C(F)(F)F 32115758 PZESHNRFORNBBU-KALUYTGESA-N 422.300 4.549 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1 58823160 UMEYHIOFVYJIGF-XMHGGMMESA-N 402.425 4.959 50 40 HJGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 408848876 WSFNUGBVHMYBAU-NTEUORMPSA-N 403.251 4.921 50 40 HJGB O=C(N/N=C\c1cccn1-c1cccc(Br)c1)Nc1ccc(F)cc1 409015349 RNWKOECOTAYJFJ-MTJSOVHGSA-N 401.239 4.535 50 40 HJGB CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2Cl)C2=C1CCCC2=O 409145400 HVMIZZAIYOTJQG-JOCHJYFZSA-N 419.912 4.649 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)Cc1cccc2ccccc12 409238960 XQDFKZBRPUECPU-NLRVBDNBSA-N 401.510 4.532 50 40 HJGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1Cl 409309648 KKWPNSAANOTPNG-IWIPYMOSSA-N 414.889 4.632 50 40 HJGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1 9324042 ONCNIHXVVCZRDZ-OPEKNORGSA-N 416.355 4.736 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 20249077 XUCJVMHHTYBJCJ-SRZZPIQSSA-N 405.361 4.956 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(OC)c1 33767318 HVJVYECNTAMMFW-BRJLIKDPSA-N 418.371 4.747 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccccc1 105423403 FOJJICUQYTWXSH-RHZWLIQVSA-N 406.526 4.941 50 40 HJGB N#C/C(=C/c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)C(=O)c1ccccc1 5515443 LJSOKDGSCLKFRC-JYRVWZFOSA-N 402.763 4.729 50 40 HJGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)n1 6189207 PEYRGCWASAUPHU-FOKLQQMPSA-N 401.297 4.619 50 40 HJGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 9553752 BBMHIFPHFKTMLC-LFYBBSHMSA-N 406.225 4.764 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN([C@@H](C)c4ccccc4)CSC3=C2C#N)cc1 20348026 OEVYJVCLAXRFPR-UWJYYQICSA-N 419.550 4.861 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1 408774863 XVPJIOHZHAHTLM-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 409227021 OHORHMQVXYXDFV-DICXZTSXSA-N 424.447 4.635 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1C#N)c1ccccc1 409242931 WUVSYOFXBYELSH-OQLNFPPLSA-N 407.473 4.922 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)ccc1OC 409313670 CQFDYFRCCJNNOQ-JJFYIABZSA-N 411.285 4.563 50 40 HJGB COc1ccc(Br)cc1/C=N/NC(=O)c1cc(C2CC2)nc2ccccc12 1253966 SJCPQJFKUDXYHV-FSJBWODESA-N 424.298 4.647 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1OC 4735397 XWQVLULMQULDFI-ZMOGYAJESA-N 412.873 4.618 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC)cc1OCC 6324600 VKXKCSLKDACWEW-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 33552678 PEYHIHHALCRRDC-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1 33721408 POAYLJJIJRLYQR-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CC1=C[C@@H](C)[C@H]([C@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@@H](C)C1 97949482 JAPABBMFYHDZMU-FIKUDORNSA-N 423.537 4.897 50 40 HJGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408741364 IJSCTLVGIRYWGO-GDNBJRDFSA-N 413.271 4.568 50 40 HJGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(CC)s2)cc1 1085510 LMVPQGLWJBBUKY-OMBDHMDGSA-N 403.504 4.651 50 40 HJGB O=C(N[C@H](Cc1ccccc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21 2559979 LRAXUKFFZHLNMX-JOCHJYFZSA-N 405.881 4.902 50 40 HJGB CCCN(CCC)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 8036209 PZGXZIHJCMZDQQ-PXLXIMEGSA-N 402.336 4.839 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 8117063 CCKMXINTCOEMCI-MFKUBSTISA-N 408.885 4.620 50 40 HJGB N#C/C(=C\c1ccc(C(F)(F)F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 14361463 RXGJBOVMHZGVNN-FMIVXFBMSA-N 401.413 4.946 50 40 HJGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)cc1 59117675 JCJWAUXUMLAKAY-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB O=C(N/N=C/c1ccc2[nH]c3ccccc3c2c1)C(O)(c1ccccc1)c1ccccc1 408913436 UNDDQNZSEBEQBW-MTDXEUNCSA-N 419.484 4.707 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 409134807 QIYIFIMLXRHKOV-JOCHJYFZSA-N 422.843 4.982 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OC 409309662 KOFLKELWEDPTRX-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(Br)cc1 4534745 YXUGCANKQTUXAV-UDWIEESQSA-N 411.752 4.876 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1 408852582 LMQLWWWIHFIVGG-IWIPYMOSSA-N 414.421 4.718 50 40 HJGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc([N+](=O)[O-])cc1 409236918 GVYDSNRUJCSCAF-QFEZKATASA-N 416.412 4.501 50 40 HJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 3085532 NFPFUNZCKDSANP-JFLMPSFJSA-N 411.505 4.836 50 40 HJGB O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cnccn1 3219008 JZFMTCWQYGJIJX-STBIYBPSSA-N 417.472 4.851 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 4514818 OFHDYWCFIYUAOT-YFHOEESVSA-N 411.708 4.842 50 40 HJGB COc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl 33662373 YHEUQKKWVYWPRW-DNTJNYDQSA-N 424.265 4.889 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2Br)cc1 211508686 DYLGBNXTMPRGBT-DHDCSXOGSA-N 415.287 4.574 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c1 408746069 WZYLUYACEKUECQ-PDGQHHTCSA-N 400.434 4.896 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 4196145 HXXMGRLYMFOUAO-GXDHUFHOSA-N 401.235 4.699 50 40 HJGB Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1 408965432 HJDNFXDORJFZPT-RPPGKUMJSA-N 400.404 4.580 50 40 HJGB Cc1nnc(Sc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])s1 408988064 CJVLNZOVUDHQOR-MDWZMJQESA-N 420.479 4.846 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc(Cl)cc1 409189853 JJDJBLJUHZYXBE-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C)c2)cc1 409227069 XHAGLBUJPAALKI-QFEZKATASA-N 422.868 4.640 50 40 HJGB CC(C)(C)c1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 4355207 ONVMYZUJKHPZHF-UHFFFAOYSA-N 420.904 4.523 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)cc1 5006964 TYTKJKAQGBIXNC-MFKUBSTISA-N 420.582 4.940 50 40 HJGB N#C/C(=C\Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)c1ccc(Cl)cc1Cl 6088281 WMXPMCHLVBTSQD-DHZHZOJOSA-N 422.215 4.658 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1 7164495 VBYLFNPBJKKTOZ-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 8368397 HWNUTNYJYQJVGZ-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NNc2cccc(C(F)(F)F)c2)CC1 58391718 HDDHLFILMYIQMV-UHFFFAOYSA-N 422.407 4.607 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 409366318 UHLASZYWMNALOD-FSJBWODESA-N 411.845 4.818 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@@H]1COc2ccccc2O1 2344485 XPYNFPNVVDSRQH-LGWXCPLXSA-N 417.248 4.544 50 40 HJGB C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C 4868442 RGBBRRDUVBQMCF-PCLIKHOPSA-N 403.482 4.561 50 40 HJGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1c(F)cccc1Cl 9693316 SEAKLQVMZKTXRI-GFCCVEGCSA-N 417.868 4.838 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1 408909231 FUKAKQQPRUEMRD-CFRMEGHHSA-N 404.470 4.565 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1C 408923737 LHTIKFIQRQOPID-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc2ccccc12 408980526 RRTFKSORPXDKSK-DYMLFOFBSA-N 421.500 4.851 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccccc3)c2C)cc1Br 409363388 LPGYMIBKNQEZNG-ZVHZXABRSA-N 424.342 4.858 50 40 HJGB CCCCCCc1cc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccccc2n1 1681724 SAPDSJOLECHRIM-PCLIKHOPSA-N 405.498 4.836 50 40 HJGB Cc1ccc(C)c(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1 4607891 IAVCCWJVDSASNS-JFLMPSFJSA-N 411.505 4.836 50 40 HJGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 5288595 FBVHKNHGHSHVGC-WPWMEQJKSA-N 403.457 4.556 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 5799326 IHLHHTJGNXIBQH-GOSISDBHSA-N 406.873 4.737 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)ccc1OC 6355018 JKOYUUUTVRHGQB-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1 9323100 NXAQUPUWHNZESY-BRJLIKDPSA-N 416.355 4.516 50 40 HJGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208252566 MYUHMWIUQBEYBS-ZXCVBSDHSA-N 414.893 4.734 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1C#N 408743982 IXCZLPGAWIQPQH-XKZIYDEJSA-N 423.472 5.000 50 40 HJGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408870320 VXMNGUOJSKWCKR-XDHOZWIPSA-N 401.397 4.870 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408936809 GERLPWRSZUFWRQ-WYMPLXKRSA-N 409.873 4.518 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 409004597 AQUFKDUGFDAVGS-CPNJWEJPSA-N 400.434 4.896 50 40 HJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1 409328896 BZMGZOHWRSFOLV-MRXNPFEDSA-N 401.963 4.589 50 40 HJGB N#Cc1c(C(F)(F)F)cc(-c2cccs2)[n+]2c1SC[C@H]2CBr 1294617 TUCCPOWGXDQBLY-MRVPVSSYSA-N 406.272 4.635 50 40 HJGB O=[N+]([O-])c1cccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)c1 1695853 JLZXXNVUPCZYPO-AREMUKBSSA-N 418.217 4.973 50 40 HJGB O=C(CBr)Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-] 2570443 QHZZGYVKNPYWEQ-UHFFFAOYSA-N 401.669 4.733 50 40 HJGB C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)Nc1ccccc1S2 5494615 QZVMRSIXVYIFPC-UMFTVLFGSA-N 417.490 4.575 50 40 HJGB CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 9261742 MCLPXAFKBBHYQC-MHWRWJLKSA-N 421.884 4.712 50 40 HJGB Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/C=C/c3ccccc3)cc2)n1 15354303 PDSWTELKLXMJOF-XWJCGCQVSA-N 402.523 4.815 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)cc1 16687888 JSBJMXWFSXCZRA-JXAWBTAJSA-N 416.433 4.678 50 40 HJGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)c1ccncc1 245231279 AUKSBJWTRCVBGS-WSJVHLRUSA-N 409.574 4.571 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(SC#N)c1O 409047165 NFAHQYSBDPWZPW-XGICHPGQSA-N 419.384 4.538 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 4211343 YOTGVHPVTXKYFS-WUXMJOGZSA-N 421.678 4.665 50 40 HJGB COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 5512121 NOMVLGKHHDMQQW-VQHVLOKHSA-N 408.197 4.703 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(C)cc1 30822077 QGBCPQXJQZKCPP-YSMPRRRNSA-N 420.440 4.516 50 40 HJGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C\c1ccc(Br)cc1 33346750 GCAQLRHHYFPFIT-MTJSOVHGSA-N 409.711 4.720 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 33497459 OXTCFXHOTMYBPJ-JJFYIABZSA-N 418.236 4.854 50 40 HJGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)c(Cl)c1O 408568369 JDNXRYKNMFCERK-WTKPLQERSA-N 422.641 4.896 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)ccc1Cl 408588705 JJFYMCWOOJPCDM-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB N#CCC[C@H]1CCCC/C1=N\NC(=O)CSCc1cccc(Br)c1 408719726 KVVMZWXNFBNZAC-OTUOZYHDSA-N 408.365 4.648 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408795102 LFJFLXQSQBVUCB-LFIBNONCSA-N 412.873 4.858 50 40 HJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 948052 UEDHVLKGSGQYCP-KGENOOAVSA-N 405.475 4.613 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408882868 OLYXVCPYKQPTIW-AWQFTUOYSA-N 415.118 4.586 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 658085 PVYMQAHBURSYBI-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 3067957 WZNBGKUKRNTZFO-HZHRSRAPSA-N 408.299 4.981 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1 4672587 OLCQFSXAQPAOJJ-LDADJPATSA-N 410.901 4.893 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc12 4704993 CKNOEXZKVKZACB-YDZHTSKRSA-N 403.394 4.657 50 40 HJGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1S2 6590803 XFXKSOKVFMELJZ-AFUMVMLFSA-N 407.470 4.953 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@H](C)SCc2ccccc2)cc1Br 8861604 KPYPYWNSVOZBFV-HADWXUJASA-N 421.360 4.620 50 40 HJGB CCc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1 9087360 LQDZWGWJMGCRMI-PMACEKPBSA-N 406.507 4.760 50 40 HJGB Cc1c(C(=O)NNC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)oc2ccccc12 40068880 FUAGLLPOQQTVNF-LJQANCHMSA-N 423.469 4.675 50 40 HJGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccccc1Cl 83317332 ZPGNUDLUDHIZHZ-QFEZKATASA-N 408.885 5.000 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cc(C(=O)O)ccc2C)o1 100386600 ZIILJRVRZCFUFA-NVMNQCDNSA-N 422.444 4.962 50 40 HJGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408857803 OZFADNXZNMGWRF-NTEUORMPSA-N 403.251 4.921 50 40 HJGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc2ccccc12 3096699 MBBBKINBLMPYOK-SSDVNMTOSA-N 417.690 4.785 50 40 HJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 15012378 OVSQXTXLYZBFAB-PTNGSMBKSA-N 413.271 4.568 50 40 HJGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1c(O)ccc2ccccc12 36685803 WJADLRNBLJLEGZ-PKAZHMFMSA-N 411.505 4.919 50 40 HJGB CC1(C)CC(=O)C(=CNc2ccc(NC3=C(C#N)C(=O)CC(C)(C)C3)cc2)C(=O)C1 100751387 QMJABQXPRRTKOW-UHFFFAOYSA-N 405.498 4.519 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(=O)O)c2C)c1C 408744373 KUFSGMDCDWIDPA-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408803983 BLTILRZMDPHYOJ-GXDHUFHOSA-N 415.674 4.660 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1 657550 RGPYKTCNJQNYAR-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1sc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 1085490 OLMBTADRQPXANM-OVMKCGGTSA-N 417.328 4.890 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(F)cccc2F)sc2c1CCCC2 1249087 TXRWWBZLNIYPBC-ZRDIBKRKSA-N 416.449 4.627 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C 28515428 YPWQTMNFGNVYPH-BOPFTXTBSA-N 413.437 4.951 50 40 HJGB N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680112 KAEQAOGDGLMGTL-FQEVSTJZSA-N 420.827 4.916 50 40 HJGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2 229911838 PCNNYBRPMHVQJI-MEOWALLASA-N 418.902 4.654 50 40 HJGB COc1ccccc1NC(=O)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409233553 KZPVZMLJSXYHIO-CVKSISIWSA-N 416.456 4.993 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)sc(C)c1C 2282116 YZRQNSZPDDDKRR-XNTDXEJSSA-N 407.495 4.579 50 40 HJGB COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)ccc1O 2733658 NKZDUZSXDMPDPU-CVKSISIWSA-N 411.461 4.688 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C 9201614 RPQZDWFDOWWUSP-FSJBWODESA-N 410.861 4.728 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 59445018 VQTZSZYJCRRCED-DHRITJCHSA-N 412.848 4.831 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1 408566906 JBNAQCNUPBBMCR-WQRHYEAKSA-N 414.440 4.960 50 40 HJGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1 409062787 AUFWMWTUWBLIBG-KOEQRZSOSA-N 404.466 4.596 50 40 HJGB CO[C@H](C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 716719 KCGZGUALLGYPCG-IBUSPFOHSA-N 408.885 4.757 50 40 HJGB CC(C)Oc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3Cl)c21 8382628 WSWMQVWWMLPKMO-GOSISDBHSA-N 406.873 4.735 50 40 HJGB N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1cccc(Br)c1 33762348 PYVJGHWRQWPMPV-LGMDPLHJSA-N 410.315 4.985 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Cl)cc1 408729385 ZGUHVWNHOQSAPH-ZMOGYAJESA-N 412.873 4.983 50 40 HJGB Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccc(Br)cc3)cc2c1 2404843 GKAAATXFYUJDJQ-UFFVCSGVSA-N 402.679 4.723 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1I 5975442 GXMMWEKEOLEWDM-UVTDQMKNSA-N 403.194 4.506 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 9202574 NGMFUQMRJDFCDX-LQKURTRISA-N 406.489 4.942 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1 20198021 FGXDPBSBHAWWGO-OEAKJJBVSA-N 404.894 4.690 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 35314117 JBUJZNNBNUNOHF-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)c(C#N)c1C 59534532 NEQJGVQMPVSFOX-GIJQJNRQSA-N 420.563 4.929 50 40 HJGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 408764270 WNCXPBWIINIZQS-OYKKKHCWSA-N 407.539 4.654 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccccc4C(=O)O)o3)cc2c1 409190205 PUOZJZIBGJXTLT-CFRMEGHHSA-N 418.405 4.554 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C 409199444 DGXQNTYLSQVLHB-ZHZULCJRSA-N 413.477 4.900 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc(F)c1 7385330 YXJLMGAKRMNJSK-WGOQTCKBSA-N 404.489 4.597 50 40 HJGB C[PH](CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 104157712 WEWSKEWVIMKAHU-UHFFFAOYSA-N 416.441 4.989 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(C(C)(C)C)cc1 662366 RPTVLGQMLWRKSY-HXUWFJFHSA-N 402.494 4.766 50 40 HJGB O=c1[nH]c(SC[C@@H](Cl)CSc2ccccc2)nc2sc3c(c12)CCC3 7425218 VLFLVPADINIHHK-NSHDSACASA-N 409.001 4.965 50 40 HJGB COc1cccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2OC)c1 59194002 CPDHBMRCONXCRG-DEDYPNTBSA-N 413.429 4.713 50 40 HJGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 223476534 FJLMYGPBAOWYOU-ZVHZXABRSA-N 406.486 4.769 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccccc1 408778065 PUTXWNXIUCEJOB-HMAPJEAMSA-N 404.510 4.824 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)c(OC)c3)n2)c1 5023981 MTSTYHBQCIBNMP-MFOYZWKCSA-N 406.463 4.817 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)[C@@H]1COc2ccccc2O1 13552996 SGTYNHLMVDQJSB-ZASXCATISA-N 417.248 4.544 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1Cl 16488907 OKEJJXGUBOTQNI-FRQCXROJSA-N 418.806 4.528 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 59435316 AYAHSBTUBMBSFS-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1 408676377 HYIVCHBVSQDEED-ONUIUJJFSA-N 400.526 4.767 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408792568 LATAIYAMEAGBJD-WOJGMQOQSA-N 408.885 4.913 50 40 HJGB O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409381699 IRJHQEXLRQZNNS-MZJWZYIUSA-N 422.960 4.715 50 40 HJGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1 948283 UVAZCBXIGKAUFS-LFIBNONCSA-N 416.262 4.960 50 40 HJGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)NC[C@@H]1CCCO1 1091293 KEYVISVOOWQCHN-VAZXNAHHSA-N 412.489 4.621 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1 2197988 HYTUDNHRGOEBPX-LJQANCHMSA-N 423.563 4.637 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1 2777131 XBVJZOSQKYKZKR-KGENOOAVSA-N 412.445 4.818 50 40 HJGB CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1 408728366 KKFMSJJFUSSINJ-WGARJPEWSA-N 403.457 4.509 50 40 HJGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)SCCS1 409251113 OLRXHBMGUASEIU-LPYMAVHISA-N 420.987 4.955 50 40 HJGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1 2207742 AJGOFSQUXQFILJ-UHFFFAOYSA-N 402.560 4.846 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 4994420 HJIRNCYQOYCGNM-NRFANRHFSA-N 406.869 4.734 50 40 HJGB N#C/C(=C\c1ccc(OCCOc2ccccc2)cc1)C(=O)Nc1ccccc1F 5006444 YCMJKCOJGOKGIU-KNTRCKAVSA-N 402.425 4.829 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33491227 UDGLWXHHFLAWTN-SSDVNMTOSA-N 409.398 4.973 50 40 HJGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(NC(=O)c2ccccc2)c1 59436936 KFQKGTHENGHSJP-OGLMXYFKSA-N 423.472 4.952 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(F)c1 408744242 XMPOPWBGIVYFTP-UNOMPAQXSA-N 402.425 4.959 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1C 408915077 ULSMTQIIMGVBEA-MXAYSNPKSA-N 418.497 4.873 50 40 HJGB O=[N+]([O-])c1ccc(SC[C@H](Cl)CSc2nc(O)c3ccccc3n2)cc1 719701 AQAIYBAYMSELKB-NSHDSACASA-N 407.904 4.735 50 40 HJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCC)cc1 2672424 NFOMGHISGNTUFM-CAPFRKAQSA-N 414.509 4.761 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 4705353 IWFZZCNZALXAAA-FYWRMAATSA-N 402.406 4.589 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(Br)cc1 5356792 NQJMNCDZSZLFGJ-UFWORHAWSA-N 402.075 4.528 50 40 HJGB O=C(O)CC/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1 8455661 PYFLVHKIEYNTEC-HAVVHWLPSA-N 423.296 4.538 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(C)cc3)o2)cc1 14186053 TYSWQDRUFADLRI-ZVHZXABRSA-N 422.506 4.674 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@H](C)CC1(C)C 208321807 XNDVLHLFGBXTMP-HUSFYUSLSA-N 408.502 4.779 50 40 HJGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408805098 DPLUSWMRHUWHJS-IZQUAUAFSA-N 412.873 4.900 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1 408809931 IFDGFQWDVLXWEV-GYZOOYGHSA-N 411.299 4.798 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl 408908014 AIRLFXJXTGAPBV-WGOQTCKBSA-N 422.912 4.513 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2c1 685560 HYWVUYYUAFQCNA-ZMOGYAJESA-N 414.421 4.784 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2)cc1 705812 BKPDDAFJCXPSQJ-JOCHJYFZSA-N 400.478 4.716 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 4329542 NIWMJPHCLKORAA-GXDHUFHOSA-N 407.411 4.912 50 40 HJGB C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccccc1C 4416369 XRVTVGKESQJXQD-ZXVVBBHZSA-N 415.493 4.562 50 40 HJGB CC[C@@H](C)/C(C)=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 4868461 KWPRETHAHLXZEE-WKRZDEFASA-N 407.543 4.565 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 20132296 BKGVOHKHPCWKNI-ZCFIWIBFSA-N 412.534 4.824 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1cncc(Br)c1 44950401 AUKGTENOFBEKIT-LSFURLLWSA-N 422.641 4.661 50 40 HJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCC[C@@H](C(F)(F)F)C1 45440145 UKBRPBFWJBKYIS-APPZFPTMSA-N 404.742 4.501 50 40 HJGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1c(O)ccc2ccccc12 253617014 WJADLRNBLJLEGZ-UHFFFAOYSA-N 411.505 4.919 50 40 HJGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n(-c2ccccc2C)n1 408724099 FFKYLUHCYOFOSS-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)c1C 408797451 RXILNRZHIXKATQ-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 408829857 QVWNEVFFKBYCEA-WGOQTCKBSA-N 421.884 4.512 50 40 HJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)c1 408844173 HDOHKWNICJLKMT-KSEXSDGBSA-N 408.797 4.808 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccc(F)cc1 408856637 KYBLCOHQTVBJFS-DHRITJCHSA-N 421.428 4.694 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(Cl)cc1 408997212 LYKTYLSTZWJXMP-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 409104638 GIHJGLXNHKWECT-YBEGLDIGSA-N 411.889 4.503 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 409228967 HVCVJVQOBDKZNE-YDZHTSKRSA-N 406.313 4.756 50 40 HJGB N#Cc1c(C(F)(F)F)cc(-c2cccs2)[n+]2c1SC[C@@H]2CBr 1294616 TUCCPOWGXDQBLY-QMMMGPOBSA-N 406.272 4.635 50 40 HJGB Cc1c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)oc2ccccc12 12576818 JWTRRAQKEWFOJG-UHFFFAOYSA-N 421.280 4.668 50 40 HJGB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@H]2OC(=O)N(CCCl)N=O 263601116 KTQUNVRSLAGBSY-SPGUCQGKSA-N 408.926 4.856 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1C(C)C 408568974 LQZYGMRNYLWSFE-WSDLNYQXSA-N 417.600 4.694 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)cc2)cc1 408745243 KUIRZABMZASDKX-STZFKDTASA-N 409.445 4.692 50 40 HJGB CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408821405 GZIAHZHHBXDCPK-MDWZMJQESA-N 405.237 4.636 50 40 HJGB O=C(NN=C1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408873824 WCGSSIQOPHSPOR-DEOSSOPVSA-N 421.566 4.901 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 408892102 BCWGILRTOCDQKX-XSFVSMFZSA-N 421.456 4.933 50 40 HJGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccco2)c1 17090488 CLDHWYHGVZNYJK-WYMPLXKRSA-N 416.264 4.993 50 40 HJGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)Nc1ccccc1S2 34772732 QZVMRSIXVYIFPC-FQOPDIHJSA-N 417.490 4.575 50 40 HJGB N#C/C(=C/c1cccs1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 96663311 RPFLVUCTZQFXJG-PYCFMQQDSA-N 413.546 4.589 50 40 HJGB Cn1cccc1P(=NC(=S)N1CCCCCC1)(c1ccccc1)c1ccccc1 102134551 JISYIDHODJMYIR-UHFFFAOYSA-N 421.550 4.664 50 40 HJGB Cc1cc(NC(=O)CSC#N)cc2nc(-c3cccc(Br)c3)oc12 226327784 KHIIVXGXPFJBGW-UHFFFAOYSA-N 402.273 4.719 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(F)cc2)c1 408804530 ASABBZGCGAXCQB-LDADJPATSA-N 418.424 4.665 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1O 409394013 UJESFCPENFFQJM-MLPAPPSSSA-N 409.198 4.599 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4893159 LIJJVTLSCGWVPO-MFKUBSTISA-N 406.869 4.560 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4953641 HRVWGUQSSYUMRO-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB CN(C)c1ccc(/C=C(\C#N)C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 7695481 HQTBTDRCMXJOST-CUPKDKKMSA-N 410.473 4.827 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 34890306 UFWMZBWBXAFYRQ-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC[C@H](O)c3ccccc3)c2C)c1C 83311197 SWRWGXROVNWYRZ-RGXRWQALSA-N 403.526 4.675 50 40 HJGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408797076 FQPXTGIONOLDBE-RIYZIHGNSA-N 415.833 4.591 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408807984 LXICFXNQTUKXCH-GXDHUFHOSA-N 415.674 4.660 50 40 HJGB N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])c1nc(O)c2cc(Br)ccc2n1 40083245 WWKVAPQVUPDCQB-ZQDGOMPYSA-N 423.226 4.626 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 59282149 YSNYYCVPHAXTON-YWFITGJYSA-N 419.912 4.545 50 40 HJGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3Br)cc21 208200491 FBXJPHCOGGSVCW-WQEJZQBCSA-N 414.347 4.935 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 408885446 ACJLSCQVGLRCHF-GXDHUFHOSA-N 418.365 4.617 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc1Cl 409009141 XDKNSPVCGMIPTN-JCRYTKJOSA-N 406.935 4.768 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 409073524 VTLVZHRQQLZFKY-RCCKNPSSSA-N 400.478 4.680 50 40 HJGB CC[C@H](C)/C(C)=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 4868464 KWPRETHAHLXZEE-RNWAHURQSA-N 407.543 4.565 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 20916111 SQZILVHZMPPVBX-KPKJPENVSA-N 421.678 4.665 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)cc1Cl 36274885 QBZXIDDWTMCEOY-OVCLIPMQSA-N 417.292 4.767 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1 59266419 UFSHSXXDOVSIST-VKZJTJHYSA-N 414.461 4.908 50 40 HJGB CCOC(=O)N[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1 409003329 RWMCONXHGLNMPT-JOCHJYFZSA-N 403.482 4.733 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1[N+](=O)[O-] 409068771 VIGMXECBMLELQB-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 2883014 IITSOEMPOFJQAM-MOSHPQCFSA-N 400.390 4.936 50 40 HJGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)c1ccccc1Cl 3268128 DBYJZSMILVWCCF-NESOBDLWSA-N 421.928 4.519 50 40 HJGB C/C(CCc1ccccc1)=N/NC(=O)CNc1ccc(Cl)cc1Br 4414312 SPKMDVPMUQQQPJ-XKZIYDEJSA-N 408.727 4.639 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2sc3ccccc3c2Cl)c1 6029113 YYPSYEWEWQLSSX-UHFFFAOYSA-N 416.930 4.827 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 14407905 BSFBVFJXDMPDRL-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCCCOC)cc2s1 20133067 ZSSNOBXVNINETP-CYBMUJFWSA-N 415.353 4.604 50 40 HJGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(O[C@H](C)COC)cc2s1 20133082 SIRQBYUAPYVBJS-DGCLKSJQSA-N 415.353 4.602 50 40 HJGB C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)C(C#N)=C1Nc2ccccc2N1 32789147 MEFOZEKICAALHJ-NSHDSACASA-N 411.437 4.754 50 40 HJGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C(=O)O)cc3)c2)cc1 408882766 QRGQWONMTYTJHD-FYJGNVAPSA-N 412.445 4.818 50 40 HJGB Cc1cc(NC(=O)N/N=C\c2cc(Br)cs2)ccc1Br 408904989 RONIOZKFVIQZCA-SOFYXZRVSA-N 417.126 4.737 50 40 HJGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1 409237180 JWGUWYFKFUMDIJ-CYVLTUHYSA-N 414.461 4.609 50 40 HJGB Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)cc1 409360189 DDHRERMWJQXQAS-JMIUGGIZSA-N 424.136 4.521 50 40 HJGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 1855515 FOIPTIBVVHUKGA-NRFANRHFSA-N 410.514 4.715 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/NC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4706215 ZAQOQSOUOGJYLA-RORRALGLSA-N 409.574 4.571 50 40 HJGB Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)n1 6189200 KMAPOGKDQDCZJE-FOKLQQMPSA-N 401.297 4.619 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)o2)ccc1Cl 33739449 VYEIAUHNKYKJBC-DHRITJCHSA-N 424.884 4.696 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)Cn2cnc3ccccc32)o1 408691819 RUULWOABWQUPRI-GDNBJRDFSA-N 400.394 4.820 50 40 HJGB Cc1cccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)c1 408996496 IGJLPBNBXDSBKP-QRVIBDJDSA-N 410.315 4.929 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(-c2ccccc2)cc1 946831 MTOWJIAWXUQKNW-ONUIUJJFSA-N 414.534 4.873 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 8324191 NGRHJDACGVODPA-DTQAZKPQSA-N 403.394 4.799 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 33713784 BGYCPQAYUKPYDT-AFUMVMLFSA-N 414.417 4.571 50 40 HJGB NNC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360576 QWUGIBYEDYLOSO-UHFFFAOYSA-N 418.294 4.520 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)cc1 409183642 FEFOGBYCKGHBTI-BOPFTXTBSA-N 412.873 4.525 50 40 HJGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OC 409370867 VBERZWKHZXXRTH-KWJLSGNOSA-N 417.937 4.705 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)C(C#N)=C(N)O2 646882 NZFXAAMKARIHNL-QHCPKHFHSA-N 408.461 4.669 50 40 HJGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(F)c3)=C2C#N)cc1 2311077 QGXXVGZQCYDPAP-LJQANCHMSA-N 423.513 4.660 50 40 HJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 16431112 GUOFJMPMFHDDDJ-AUEPDCJTSA-N 417.248 4.675 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 20437073 QTVXHLWWTHZGRF-WYMPLXKRSA-N 417.343 4.566 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408799982 MHONWRHHMTXNAG-GYZOOYGHSA-N 413.315 4.850 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c(C)c1 20194682 HJCVEJDBALDUNJ-MFKUBSTISA-N 414.534 4.910 50 40 HJGB NNC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 856241 DDRZIZGQDFUXEV-UHFFFAOYSA-N 403.869 4.591 50 40 HJGB C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1 4199337 ILMHBOAIBZXWFK-DIBXZPPDSA-N 400.522 4.760 50 40 HJGB CCCN(CCC)c1ccc(/C=N\NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 32573493 KNZRINVRXBEXAH-SVTVQYSDSA-N 401.938 4.884 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccccc2O)c2ccccc2n1Cc1ccc(F)cc1 408591913 WJGURULHKVKSSO-VULFUBBASA-N 401.441 4.607 50 40 HJGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OC(C)C 408904817 PBFRWEJAJNWQLQ-NHDPSOOVSA-N 420.307 4.709 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408960915 JIMCJCNRHTWDLO-CFRMEGHHSA-N 416.437 4.821 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1 409223030 FBHYSOYWCUAFGB-QFEZKATASA-N 422.868 4.640 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC 2643923 YRGRUCNNHWMTPE-WUXMJOGZSA-N 410.779 4.922 50 40 HJGB COc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 4694181 IAYLJPBWXGCUHE-AFUMVMLFSA-N 412.530 4.644 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(OC)c3OC)n2)cc1OC 4822486 FOQLKEQFDOQVCU-YBEGLDIGSA-N 408.479 4.909 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1O 5512630 OUHYDWUJONRWPM-ZVHZXABRSA-N 406.507 4.598 50 40 HJGB Cc1cc(SCC(=O)N/N=C/c2ccccc2)c2cc(Br)ccc2n1 13281999 AWOXVPWVDJYJLV-SRZZPIQSSA-N 414.328 4.548 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408786520 RWYWLIJZVLAQEP-MSXFZWOLSA-N 416.308 4.930 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408933850 BSSLAOZUHFRYCT-WQRHYEAKSA-N 417.396 4.859 50 40 HJGB CCOc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C(C)C 408960471 FZSJXFYIBPVZPI-FSJBWODESA-N 409.442 4.935 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 408962623 ZVBXNZJWBVXMSR-IMRQLAEWSA-N 413.521 4.791 50 40 HJGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccccc1OCc1ccc(F)cc1 3289203 FBJYVKJJIUWAQC-LGJNPRDNSA-N 414.383 4.770 50 40 HJGB C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccco2)cc1 5516931 KSORZENSVAEHND-JVWAILMASA-N 419.525 4.979 50 40 HJGB C/C(=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(F)cccc1F 5835513 GGBXOBMGUAEIOV-JVWAILMASA-N 416.431 4.972 50 40 HJGB CCCc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1OCc1ccccc1)C(C#N)=C(N)O2 9087928 GVAIDDYZKJADAM-FQEVSTJZSA-N 420.900 4.813 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 20197860 CEDGLIVYDPSCGM-WGOQTCKBSA-N 406.457 4.957 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408591825 VKDUBRFOUHDELY-BLTFUYFMSA-N 416.308 4.585 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 409017023 DDEJYNLVONADQZ-JVWAILMASA-N 408.461 4.990 50 40 HJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1 1439433 AXFQSPIFRSNTGW-HMMYKYKNSA-N 412.445 4.769 50 40 HJGB CCCCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 2187625 UGHPJZQUWOHSSM-UDWIEESQSA-N 414.512 4.996 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccn1-c1cccc(C(=O)O)c1 4674675 DCXMPQMEOZLRRE-FOWTUZBSSA-N 405.841 4.683 50 40 HJGB COc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3cc(C)cc(C)c3n2)cc1 15934468 HYWPLTBXRYZWMN-JFLMPSFJSA-N 410.477 4.686 50 40 HJGB C=CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 36129971 WEMHRRQEBLAYMJ-OYKKKHCWSA-N 415.405 4.823 50 40 HJGB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 253501165 AUKSBJWTRCVBGS-HQBBIXNRSA-N 409.574 4.571 50 40 HJGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 408742213 VEMSFCXUVZRPFP-LPYMAVHISA-N 414.531 4.761 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)o1 408992879 TZQNJWRXOQSEIW-FMIVXFBMSA-N 400.481 4.909 50 40 HJGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccs1 409131378 XTWGEWOQCQGPOL-CYBMUJFWSA-N 405.342 4.783 50 40 HJGB OC(c1ccc(C(Br)Br)cc1)(C(F)(F)F)C(F)(F)F 1848350227 CWUQGKBYTWMYGP-UHFFFAOYSA-N 415.953 4.787 50 40 HJGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 100643106 CYBXNZQPJPWRHY-HXUWFJFHSA-N 424.909 4.978 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)cc1Cl 409053863 RDLWFNLMOVSAOO-VULFUBBASA-N 403.869 4.863 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1 409245260 PXWVNWCISPXOOY-HKWRFOASSA-N 414.461 4.609 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1319773 RXZWTFSWXIVZPS-GCMSVZMUSA-N 421.453 4.897 50 40 HJGB O=C(N[C@H](C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 2068667 BEVDRBOYYOCIDX-NRFANRHFSA-N 418.260 4.560 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc2ccccc12 58914766 PHQQHOMHFFOWDM-QFEZKATASA-N 417.852 4.842 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1 59335148 VNRGWHSNVDNBKQ-STZFKDTASA-N 412.493 4.907 50 40 HJGB C=C[Si](C)(C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)c1ccccc1 195812037 XYVYGTWMOAIWOG-UHFFFAOYSA-N 408.795 4.673 50 40 HJGB in-vitro Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1 409068837 JAUHRFAWZPLOQV-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(Br)c1 409191906 QAKNEYNGNSUJFV-BOPFTXTBSA-N 412.331 4.822 50 40 HJGB CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 870410 PXVCEKHKKVVJQX-IBGZPJMESA-N 423.900 4.738 50 40 HJGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)NC(C)C)c1 1173817 ZVAXCELLNIBWEY-VCHYOVAHSA-N 413.315 4.768 50 40 HJGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1cccc(Br)c1 1211296 QUJQLUTXEQLFFW-SDNWHVSQSA-N 400.276 4.578 50 40 HJGB aggregator CCOc1ccccc1[C@@H]1C(C#N)=C(SC)NC(C)=C1C(=O)Nc1ccccc1 1438233 HNIISCIRVJHEIP-OAQYLSRUSA-N 405.523 4.783 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1 2283675 LXJJIDPHMFVEQK-QVKFZJNVSA-N 406.869 4.557 50 40 HJGB COc1ccc(O)c(/C=C/C(C)=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 5275979 CKEXTQXKLYQGEI-JSWATBSFSA-N 404.466 4.527 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1C#N 9202137 DAHQIDCOAGIWCS-JVWAILMASA-N 413.477 4.608 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccccc2Cl)cc1 33562932 ZLSMZDNKMVBBEK-OYKKKHCWSA-N 423.856 4.520 50 40 HJGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408578875 BHXAEXZMEAQCGT-AWNIVKPZSA-N 422.662 4.639 50 40 HJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1F 408854015 VPYSYKJABBKTBL-WGARJPEWSA-N 418.424 4.923 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408881294 MNJFARUWXKHGIR-SSDVNMTOSA-N 413.817 4.589 50 40 HJGB O=C(c1cccc(NP(=O)(c2ccccc2)c2ccccc2)c1)N1CCCCC1 2208462 SJUCVBXHUWPSOT-UHFFFAOYSA-N 404.450 4.654 50 40 HJGB Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl 3033440 QLVILJYKZONIFM-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 6339292 VBWQRKHAJDYBPF-RIYZIHGNSA-N 403.232 4.829 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)[C@@H]1COc2ccccc2O1 13880626 FQTUYYIXBXATDW-LGWXCPLXSA-N 417.248 4.544 50 40 HJGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cccc(Cl)c1Cl)CO2 30725484 FIEZPSAKZSBTIQ-XLIOOIBCSA-N 407.297 4.581 50 40 HJGB CCn1c(/C=C(\C(=O)c2ccccc2)N2C=CC=CC2=C(C#N)C#N)nc2ccccc21 39395724 RVNYJHWEMOTYNO-LFVJCYFKSA-N 417.472 4.967 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)c(C)c1 408747125 ZTUSEFAGDHKDSR-LGMDPLHJSA-N 416.433 4.596 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OCC 408811035 KTXRZLAHINAQKN-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB O=C(N/N=C\c1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 408852159 IWJUYLDVDBIQSD-OCKHKDLRSA-N 422.076 4.722 50 40 HJGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1471904 QVLFWDJEXJYZOL-HSZRJFAPSA-N 411.505 4.547 50 40 HJGB CC(C)(C)c1cc(/C=N/NC(=O)CN2CCCc3ccccc32)cc(C(C)(C)C)c1O 4140081 ZEFNSGGRNKFYJO-JVWAILMASA-N 421.585 4.890 50 40 HJGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(Cl)c1 5568583 BLDAOCDUXCESNF-SSDVNMTOSA-N 412.704 4.906 50 40 HJGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1 9088998 HQTDNIWHNSOFRB-PMACEKPBSA-N 422.506 4.597 50 40 HJGB N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9348626 WPVPXJVQFVDRCH-XFXZXTDPSA-N 411.374 4.742 50 40 HJGB Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 100643112 JJWKFMVUIJEGSH-OAQYLSRUSA-N 404.491 4.633 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)oc12 408971077 LRJNCEPXHMWAHQ-MFKUBSTISA-N 400.434 4.784 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 409062829 BJRGFOWYAKGTCY-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2OC)c1 409228819 FQAPMGBNUAEGMS-RGEXLXHISA-N 405.498 4.630 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)[C@H]2Br 2667730 DLRVFCBBSLTBCI-UHOFOFEASA-N 401.142 4.977 50 40 HJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1cccc(C)c1 5364228 UKKPSXIMMNLXKS-OVVQPSECSA-N 400.482 4.873 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)c2ccccc12 8382696 LIFSBPJSVYHMGB-FQEVSTJZSA-N 412.424 4.596 50 40 HJGB CC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 16268339 QOYIDZNRHZNYGD-MOSHPQCFSA-N 401.441 4.982 50 40 HJGB O=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(F)cc1 32123375 ZZPNICWABPDUET-YUMHPJSZSA-N 412.420 4.962 50 40 HJGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 33406574 TTYSMSZEUMNVRL-RGEXLXHISA-N 422.481 4.596 50 40 HJGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(N2Cc3ccccc3C2)cc1 408718572 AGTSPVPXOYDVJH-ZMOGYAJESA-N 420.310 4.733 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccccc3Cl)c2C)cc1 408757445 ZZYGWAPJKYSDHW-QFEZKATASA-N 409.917 4.839 50 40 HJGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408788626 LSMPYHJEJAAYHN-MDWZMJQESA-N 416.662 4.551 50 40 HJGB COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1OC 408969971 XXYQTTQQHBPYMX-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1 408999668 VJJCXQIYSGDACN-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OC 409323970 QLUVIIIBQBWDRJ-QFEZKATASA-N 424.884 4.700 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 889221 TWXUMDYLJHRHMK-ZMOGYAJESA-N 421.453 4.816 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 1096879 MFQYPUGFQQGRJY-PXLXIMEGSA-N 421.500 4.922 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cccc23)c1 6207738 IQZREEXGMGEITF-CVKSISIWSA-N 413.477 4.924 50 40 HJGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)nc2c1 9263482 ZKGOHQXQHFBHCQ-XMHGGMMESA-N 408.461 4.953 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)c1 20787022 XMCZAKUMECPLMQ-DEDYPNTBSA-N 414.461 4.828 50 40 HJGB Cc1cc(NC(=O)N/N=C\c2ccc(OCC(C)C)cc2)ccc1Br 33863393 JLEYMOQZRWAYTK-NHDPSOOVSA-N 404.308 4.948 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1O 408815298 HFWFGCITDCWLGV-WUXMJOGZSA-N 421.678 4.671 50 40 HJGB C[C@H](NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1)c1ccccc1 4036726 NCEFWYGCAXBQQH-MAZHCROVSA-N 411.137 4.764 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)c1 4263926 KFMOLDWAJDXBOO-LZYBPNLTSA-N 408.479 4.909 50 40 HJGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 4402173 NDXCGXGPHBHHCQ-YDZHTSKRSA-N 416.865 4.506 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 28217422 VFPXUOLVFUJJHQ-FSJBWODESA-N 410.861 4.728 50 40 HJGB C[C@]12CC3CC(C(=O)N/N=C/c4cc(Br)ccc4O)(C1)C[C@](C)(C3)C2 100489688 WYNUMOOXXOWVFX-LWBDEQPTSA-N 405.336 4.601 50 40 HJGB O=C(CCC(=O)NC1CCCCCCCCCCC1)NNC(=O)CC1CCCCC1 199425946 OGMJURRZQVCALF-UHFFFAOYSA-N 421.626 4.674 50 40 HJGB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1 225615047 OMCAONVDKONATL-UHFFFAOYSA-N 400.357 4.876 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)[C@H](C)Sc3ccc(C)cc3)c(Cl)nc2c1 409116692 LKSRFLSZTYRGBV-XMTZNVEYSA-N 413.930 4.836 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cc(Cl)cc(Cl)c1 409195267 GXAOGURJXVGQDS-FALBMNKOSA-N 418.324 4.603 50 40 HJGB CCOc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc(OCC)c1OCC 2098607 DTNKGKACONEUPS-PCLIKHOPSA-N 412.530 4.944 50 40 HJGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1n[nH]c2c1CCc1ccccc1-2 31841452 HWNXPFFXUUAPNO-QQXSKIMKSA-N 408.461 4.732 50 40 HJGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408581170 HAEODTLOQVPTJZ-GZTJUZNOSA-N 412.283 4.933 50 40 HJGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408718798 KFLVYUCNGBMMDP-SNSJXNMTSA-N 401.850 4.785 50 40 HJGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 408772969 NZSHEQUUWITZEV-ZVHZXABRSA-N 404.491 4.582 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 408925264 QULMJPJTVXAHGM-LDADJPATSA-N 418.428 4.996 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OC 409316471 XXQZCNYMWFQDCY-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 1602227 RECMEXFQKOOMMK-KGLIPLIRSA-N 413.065 4.677 50 40 HJGB COc1cccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c1 2760185 CHQPKPKBOAUTDK-NRFANRHFSA-N 405.885 4.653 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 5815808 IQJCMKYSCJFCAP-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59426564 QCSQXXYSEUSMMY-MFKUBSTISA-N 408.885 4.620 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408590926 RKVSZEQAWWPPSM-VWXZLZIGSA-N 416.308 4.585 50 40 HJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccn3)c2C)c1 409235648 PMDQDMWHUJJTRM-JVWAILMASA-N 411.509 4.661 50 40 HJGB CN1C(=C(C#N)C(=O)COc2cccc(Oc3ccccc3)c2)N(C)c2ccccc21 3336085 BKIXLOLZIMETJA-UHFFFAOYSA-N 411.461 4.748 50 40 HJGB Cc1cccc(C)c1OCCCOc1ccccc1/C=N/NC(=O)c1ccccc1 4676139 CZWFPPFTAMZASR-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB N#C[C@@H]1c2ccccc2C=CN1C(=O)c1ccc(N(CCCl)CCCl)cc1 4962849 WBKMQSNBQQLIAY-HXUWFJFHSA-N 400.309 4.662 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)c1 5248624 PSENGANDISIMAP-INIZCTEOSA-N 413.264 4.610 50 40 HJGB C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C#N)cc1 9140122 JDOJCVKTBXSQEI-RDRPBHBLSA-N 420.472 4.839 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCO2 15938502 CZYJHLFIEXNDAK-AFPJDJCSSA-N 403.221 4.746 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 59447285 NBUZGTNNENEYDC-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB N#C/C(C(=O)NC1CCCCC1)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 197637647 OUCKKDIKZDGWNK-ZBJSNUHESA-N 419.912 4.613 50 40 HJGB CN(C)c1ccc(/C=C/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408940012 JBVHQRXOXSVXRA-UGKRVIIUSA-N 412.287 4.690 50 40 HJGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1 409368413 UPMOOROVEHSOCL-NRFANRHFSA-N 423.488 4.981 50 40 HJGB Cc1cc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(=O)[nH]c2cc1Cl 876540 SJRCFHFVUPTVFR-NRFANRHFSA-N 413.864 4.861 50 40 HJGB O=C(CCCl)N1CCN(C(=O)CCCl)c2c1c1ccccc1c1ccccc21 1724123 SNWCJFGZIHDVJY-UHFFFAOYSA-N 415.320 4.930 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1OCc1ccccc1 3229384 JAYNCGIWPQRXID-WGOQTCKBSA-N 411.461 4.586 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 26123932 RGLAPSDKSXYQDZ-CVKSISIWSA-N 422.456 4.576 50 40 HJGB COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I 33643226 WLYMFUWWDPIDMM-JYRVWZFOSA-N 415.234 4.549 50 40 HJGB CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 33717792 GIOZYGZQKQYUMW-WQRHYEAKSA-N 419.481 4.585 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)c1 34838142 FREDLSTUNOZAFM-YDZHTSKRSA-N 418.478 4.981 50 40 HJGB COc1ccccc1-c1cc(C(=O)NN=C2CCN(C(C)C)CC2)c2ccccc2n1 55082657 KJVMLJJEABMLTC-UHFFFAOYSA-N 416.525 4.500 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OC 59335615 MQXAYNUBBMWSAE-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(O)cc1 408796440 PBJWGPLLPKGXNH-DEDYPNTBSA-N 418.456 4.813 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OC)c(Cl)c3)cc2c1 409186995 KQGWFWBNZDKWBU-YVNNLAQVSA-N 407.253 4.911 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)cc1 713494 JBASBPMFAIKSDC-QFIPXVFZSA-N 417.484 4.775 50 40 HJGB COc1ccc(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 6625436 CUTRXLDUWQXFGE-PMTNFBSSSA-N 404.514 4.632 50 40 HJGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2Br)o1 8368411 PCEPHJVHXCOTGG-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 15229869 ATYPGMOONLZCND-SSZFMOIBSA-N 416.433 4.898 50 40 HJGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1 17201127 RPFIDYRVCFMINZ-GXDHUFHOSA-N 415.430 4.622 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 58900563 XORCVRHZNJKMRL-UFWORHAWSA-N 402.075 4.528 50 40 HJGB N#C/C(=C\c1ccccc1I)Sc1nc2ccccc2[nH]1 408599609 XJGYGXCIJGSCHD-FMIVXFBMSA-N 403.248 4.824 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1Cc1ccccc1 408677548 RRMYCOYHIYLATB-YZSQISJMSA-N 400.526 4.517 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 408967610 RFVHFVVBMACLOI-RPPGKUMJSA-N 424.863 4.531 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4cccc(C(=O)O)c4)o3)cc2c1 409188461 ZJODYEJQFVIIBV-ZMOGYAJESA-N 418.405 4.554 50 40 HJGB O=C(NNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 2246782 IIXMGBUYZOBZHE-UHFFFAOYSA-N 409.656 4.982 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Br 2603108 ASNQDJBULPKYDI-XOBRGWDASA-N 421.294 4.658 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)NCCc1ccccc1 3238383 USANXWVNLWPQLI-CAPFRKAQSA-N 424.529 4.867 50 40 HJGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)[C@H](O)c1ccccc1 4505832 WZMINRBWUBGPQE-GUZGMJKESA-N 408.845 4.645 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(=O)O)o2)c1 5573895 DGIUNVQXFNSVQD-NTCAYCPXSA-N 402.406 4.589 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 6168220 GXOVKLSAIUWOFR-FYHAJLKWSA-N 406.482 4.798 50 40 HJGB N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1nc2ccccc2o1 16490270 GCXXTTIATIUJLW-FOCLMDBBSA-N 416.462 4.605 50 40 HJGB N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1sc2c(c1C#N)CCCC2 35394528 ZOWAAGAQGDDDKT-BJMVGYQFSA-N 418.341 4.868 50 40 HJGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 38682015 CXHIJBBCNNHSDH-QFIPXVFZSA-N 414.486 4.846 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1C 409206675 ZWINKBDBAHARJD-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB CC(C)(C)c1ccc(OCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1 4508447 DUASMMVCPIJJHH-OVVQPSECSA-N 417.509 4.601 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 5338338 QAUUQVSLXJENJE-OGLMXYFKSA-N 409.489 4.981 50 40 HJGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccc([N+](=O)[O-])cc1 15008764 CNAJJYSEIBWGLM-QFEZKATASA-N 419.481 4.532 50 40 HJGB Cc1noc(C)c1COc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1 40160429 UMSGPILFAZQWPL-UHFFFAOYSA-N 405.376 4.646 50 40 HJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(F)cc1 104813447 LQDNKALPRXILGA-JVWAILMASA-N 404.445 4.704 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(O)cc1 408788699 MCCMYZCZCGVTHE-UKTHLTGXSA-N 409.785 4.759 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408972368 BAKIJMKHENBBAJ-OPEKNORGSA-N 419.790 4.601 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 409236417 FYMYMRBJVIGIRU-IYVNWDGISA-N 419.706 4.895 50 40 HJGB O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409375824 PQWAIZVMMPZIQJ-OGLMXYFKSA-N 415.537 4.791 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc(O)c1 3112571 BETKKUGGUGQVJY-WGOQTCKBSA-N 410.429 4.529 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 4723471 JZTFIMYAWRFIFY-KGENOOAVSA-N 416.452 4.637 50 40 HJGB C=CCSC1=C(C#N)[C@@H](c2ccncc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9968573 BSKLWJZWTGBOHA-HXUWFJFHSA-N 422.941 4.989 50 40 HJGB Cc1cc(C)c(OCC(=O)N/N=C\c2cccc3ccccc23)c(Br)c1 15938617 NOAUNBLKNLZXIS-FMCGGJTJSA-N 411.299 4.748 50 40 HJGB O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccc2ccccc2n1 20926725 DEBWTGTXKUMNFS-WSDLNYQXSA-N 407.886 4.852 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)cc1 408718892 SNMOJLLNSOJXCH-WGARJPEWSA-N 423.900 4.664 50 40 HJGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N 408753081 LHDCGSKDSKQORQ-VGPVSKDSSA-N 411.490 4.639 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1 4922786 OMPDVDHJKAWWPU-NRFANRHFSA-N 419.550 4.867 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 5720522 FIDCQVCURBIYKS-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)ccc1Cl 408725249 KFTSWPSFONXYJM-PJHYMLFGSA-N 414.889 4.663 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408806808 BVQJITNRFJPZSX-XMHGGMMESA-N 422.481 4.596 50 40 HJGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1ccc(F)cc1 409311591 BBZBBNZWZJBSCD-INIZCTEOSA-N 417.303 4.860 50 40 HJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(C#N)cc1 409367974 KQWCHNRQLGDQHT-ACAGNQJTSA-N 404.061 4.853 50 40 HJGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 1425011 KSLKSDJHTLPNHQ-BRJLIKDPSA-N 402.372 4.803 50 40 HJGB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2303842 JYNFVFODSRNDKP-LRULAXNGSA-N 413.477 4.668 50 40 HJGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1 4499508 OMOWMJJDLYSCCN-UHFFFAOYSA-N 415.534 4.579 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H](Br)C2=O 11024006 VDOMLYFVXWUOML-VUCTXSBTSA-N 418.253 4.803 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408793982 HJSCUDAPOPTZFH-UDWIEESQSA-N 424.416 4.591 50 40 HJGB Cc1oc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Br 408859245 NNSUMKMFGZOGBA-NCMFSIOGSA-N 401.713 4.635 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1C 409182276 KEROZGKPONNQPR-FSJBWODESA-N 411.845 4.818 50 40 HJGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1 409186292 AAWHTLZMKHOOLQ-BOPFTXTBSA-N 400.272 4.844 50 40 HJGB CC[C@@H](NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1cccc(C)c1 3616685 LXBVQMZTSSFXAJ-XMMPIXPASA-N 402.538 4.620 50 40 HJGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(C(C)C)cc1 4414000 KUIDWZJWMVIULO-HYARGMPZSA-N 419.319 4.500 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1[N+](=O)[O-] 4461686 BKHMNFAOXSTUPY-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2 4854867 PCNNYBRPMHVQJI-ZGFXHQAVSA-N 418.902 4.654 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1cccc(Cl)c1Cl 408589523 LNUYWDHLMPCVGR-BHGWPJFGSA-N 401.297 4.747 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)cc1C 408853112 LQNRIFJPKVKSCZ-IDUWFGFVSA-N 415.085 4.577 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)c1 409228252 WLMXXWKKNQEEJY-VJOZSWGJSA-N 414.461 4.826 50 40 HJGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1 409322086 WHLVKMMAFPGXIG-OAHLLOKOSA-N 402.878 4.630 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1215813 YYURSXZHGRKOEN-WSDLNYQXSA-N 413.271 4.547 50 40 HJGB COc1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1801181 DUNAJVOEXVYUKJ-LSDHHAIUSA-N 413.109 4.533 50 40 HJGB C=CCOc1cc(Br)c(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1OC 2866071 IINXEAXAUUFZFA-OVCLIPMQSA-N 415.243 4.995 50 40 HJGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCc1ccc(Cl)cc1Cl 4545325 QLWFFAHTWWRMAK-FOKLQQMPSA-N 407.297 4.780 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 5590853 PWHDIWUPRURYAE-CLCOLTQESA-N 423.516 4.521 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N1CCSC1=C(C#N)[C@H]2c1ccc(Br)cc1 67257870 WLSKEJJLTFNHRB-QGZVFWFLSA-N 415.356 4.973 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C 107604802 GFERAYLXDKSFDI-ZDLGFXPLSA-N 418.409 4.983 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CBr)CC[C@@]43C)[C@@H]1CCC2=O 118926650 ZACWFFSSQLMXTB-KZVLABISSA-N 409.364 4.825 50 40 HJGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 408599049 NXZYKGAUJOSTFQ-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 409076131 YEPDYBNHHJGICJ-WJDWOHSUSA-N 416.308 4.684 50 40 HJGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1 874985 HQQAGEXTLIVRIV-CYSJBEJYSA-N 424.456 4.744 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1O 4722847 VBNDWPIGJSAPTD-DHDCSXOGSA-N 415.287 4.661 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1 9329116 VFXHSQVICYJMTM-KRWDZBQOSA-N 424.863 4.876 50 40 HJGB COc1ccc(CC(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223492327 AHDGFKRCIJIXBK-QQXSKIMKSA-N 405.542 4.798 50 40 HJGB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253617299 HYXUDBBVUZEPTI-IOENSQTLSA-N 411.380 4.903 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408530176 LLQYEIRNIKPIBA-LGJNPRDNSA-N 408.933 4.927 50 40 HJGB CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2C[C@H](O)CCl 978397 NBIATHZNXOUSOE-QGZVFWFLSA-N 405.929 4.927 50 40 HJGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccccc1 408541699 FEQYDKVSLIDGSA-VBKFSLOCSA-N 411.417 4.526 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2O)cc1 408743471 GBNQJDJPHDWJMI-KPKJPENVSA-N 421.678 4.752 50 40 HJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 409128049 KNWIYJFGXUSFSU-IKMPRTQCSA-N 409.467 4.794 50 40 HJGB Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o1)C(C#N)=C(N)O2 6300207 DNNHESPZSFFVFY-INIZCTEOSA-N 420.778 4.869 50 40 HJGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl 20238186 HVJHMGWVWQUUCI-AWEZNQCLSA-N 405.926 4.827 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)O 107667121 JPFUMAZGYVKZRF-QPEQYQDCSA-N 420.234 4.514 50 40 HJGB COc1cc(/C=C(\C#N)C(N)=S)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408541965 GHDAGVXSVTWNAW-IZZDOVSWSA-N 423.372 4.608 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408746279 YCILHMKAUYQPIS-QPEQYQDCSA-N 405.679 4.965 50 40 HJGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl 409320706 CLEKSFRWYBPAJZ-FMCGGJTJSA-N 423.296 4.729 50 40 HJGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1 1248865 NRBDFLAFTZIFDH-DTQAZKPQSA-N 405.479 4.957 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(Br)cc1 3077033 DWZJXUJSFBBPRR-OEAKJJBVSA-N 409.283 4.645 50 40 HJGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 3195076 RLGULENBDNPZNJ-KWXFCVSUSA-N 419.868 4.705 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 14134318 RWLGTCFIOBLGEP-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB O=C(N/N=C\c1cccc(C(F)(F)F)c1)c1cc2cc(Br)ccc2o1 30814055 ZYNYXSIBBLLFGN-AFPJDJCSSA-N 411.177 4.978 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 59335750 WVZNSYMALGYIDD-QNGOZBTKSA-N 400.478 4.680 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 409235201 BKQGCKYGQYCFHO-IWIPYMOSSA-N 406.507 4.684 50 40 HJGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1 4150881 RZUZSSSHZXKUHC-WGOQTCKBSA-N 411.461 4.993 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 5883879 SXFCBEXJENBSJE-FQEVSTJZSA-N 400.482 4.646 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 59501499 POWAXVXCIXDFTG-MZJWZYIUSA-N 413.521 4.661 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1 212099160 LKQXKLCEXFZQPD-UYRXBGFRSA-N 402.425 4.959 50 40 HJGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408818592 XJZWVMFYXFATAZ-LYEVVCBYSA-N 419.481 4.776 50 40 HJGB N#C/C(=C\c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408990021 JRPMTUXBRHVLRY-FOWTUZBSSA-N 402.435 4.687 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OC 409317691 RIKWCYNJBVRFSM-QFEZKATASA-N 424.884 4.700 50 40 HJGB O=C(O)c1ccccc1-c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1 409392014 MVIRJOUSTMVTSY-WPWMEQJKSA-N 424.456 4.927 50 40 HJGB C[C@H](NC(=O)[C@H](Br)[C@H](Br)c1ccccc1)c1ccccc1 4036724 NCEFWYGCAXBQQH-APHBMKBZSA-N 411.137 4.764 50 40 HJGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1 6334178 OROLKYWEDKMQKZ-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB C=CCc1ccc(OCC(=O)NN(Cc2ccccc2)c2ccccc2)c(OC)c1 18192585 OMJYDEIFCNLYFD-UHFFFAOYSA-N 402.494 4.541 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 408744284 ZHNWEXIAVZVJOH-VULFUBBASA-N 419.868 4.563 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC)c1 408754393 QNXYRYUEPSUZQB-XNTDXEJSSA-N 415.287 4.792 50 40 HJGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nc2ccccc21 946803 UTORXOJKMHKLCT-FSJBWODESA-N 421.353 4.996 50 40 HJGB Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2)n1 6189263 QKJNPKXUBGJAKW-FOKLQQMPSA-N 401.297 4.619 50 40 HJGB CC(=O)NC1=C(C#N)[C@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O1 36612754 ZVCFQMDLLQIOID-HXUWFJFHSA-N 419.278 4.998 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1C 408588618 JEAZTQJKGLIQIN-ZMOGYAJESA-N 424.888 4.657 50 40 HJGB Nc1ccccc1C(=O)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408718807 KZXNOZSWXZFZRZ-ROTLSHHCSA-N 414.292 4.919 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 408725392 OLWGTBZVGFYILI-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1 408820349 XAYHXCXHMNATIR-QFEZKATASA-N 415.449 4.530 50 40 HJGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2)cc1 408888593 XPOLXQKFUWOHHD-XSFVSMFZSA-N 412.445 4.818 50 40 HJGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965571 VZIWDBJUDFDIAT-LSHDLFTRSA-N 415.209 4.631 50 40 HJGB CN(C)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br 409021373 DUCHNDMYUQUNEX-FBHDLOMBSA-N 420.694 4.679 50 40 HJGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccco3)o2)cc1 107678862 KMPSALZIFKQBBF-OYKKKHCWSA-N 403.438 4.623 50 40 HJGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1 408763721 ULMOSBJPGCXTBO-HMMYKYKNSA-N 412.445 4.769 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1 408791295 VRYNVWNBRQLFDP-MKMNVTDBSA-N 419.264 4.619 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C 408892149 GPSVEFSZGWEDPD-FSJBWODESA-N 412.946 4.526 50 40 HJGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 2730511 WWUMKWMLJDSQLU-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB C=CCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 12249964 FARSBNQVTOGTFV-JOCHJYFZSA-N 417.534 4.949 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1 59292023 ZKQFUVPESYIESJ-HAHDFKILSA-N 412.489 4.806 50 40 HJGB N#C/C(=C\c1cccc(I)c1)Sc1nc2ccccc2[nH]1 408599244 QRBOUTVVRJYJPX-UKTHLTGXSA-N 403.248 4.824 50 40 HJGB CCOc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 408711781 KDNQNRADJNZKIJ-ONUIUJJFSA-N 402.494 4.666 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1C 408744305 XSEZRLWPZMRHBE-ZHZULCJRSA-N 413.477 4.735 50 40 HJGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1 408782454 ITFLUIOVBZKEDA-LDADJPATSA-N 416.433 4.978 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)c1 409182185 IUNPEMVVOSYWLU-WGOQTCKBSA-N 412.445 4.579 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccccc1C(=O)O 409217447 VDMMCSADLDHUCA-BOPFTXTBSA-N 419.868 4.991 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1 409269077 DQJBAJAUFSSFHQ-WGOQTCKBSA-N 412.445 4.579 50 40 HJGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 409370694 CKHVBXFNWDIWBV-RVDMUPIBSA-N 413.886 4.929 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1 1319409 YKNIHDSQUNNSIB-OFJBCHTGSA-N 419.319 4.500 50 40 HJGB O=C(CSc1ccccn1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 2318863 GHCDRKOWYNZKOP-ZMOGYAJESA-N 411.914 4.556 50 40 HJGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1 2670374 QKRPNJRYBAYACB-HMMYKYKNSA-N 406.482 4.976 50 40 HJGB Cc1cc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)ccc1Cl 5540435 IWEDITFGQDIDOL-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151908 INEPJYMQBVUUKN-UKTHLTGXSA-N 412.312 4.807 50 40 HJGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 16956748 SDBWIXHPEINVIC-CVKSISIWSA-N 414.440 4.559 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1 20132219 AWFULKMSGBGZGJ-QMMMGPOBSA-N 406.143 4.788 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(C)cc1 408779984 PHWYYCJESSZRDL-XKZIYDEJSA-N 404.510 4.743 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Cl 408808943 GWEFOKSHAMRBTE-SXGWCWSVSA-N 417.292 4.790 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccc1 408960628 HJMRWEINMSNFLI-QRVIBDJDSA-N 402.410 4.512 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1cccc(F)c1 409253541 ZMXYSPXZOXISKC-DICXZTSXSA-N 424.447 4.635 50 40 HJGB CCOc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1OC 409367666 HVVUGGFXHSKUDH-GDNBJRDFSA-N 405.235 4.763 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239324 WCNHWESTWGBJEY-FOWTUZBSSA-N 409.392 4.611 50 40 HJGB N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3ccccc3C(F)(F)F)cc2)cc1 9390514 BKCOLPZNOMEWAB-CCVNUDIWSA-N 423.394 4.773 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1nc2ccccc2s1 15945504 UBKHSZHYJCXICG-SDNWHVSQSA-N 419.897 4.990 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC 59473807 NWBJBRCPPRWKMV-MFKUBSTISA-N 420.534 4.901 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC#N 408787614 CSABBEJBDAVQLP-LICLKQGHSA-N 409.873 4.804 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)cc(C)c1 408817054 UYVUYUYYBJEONY-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccco2)c(Br)c1 408893058 DXXRDIUVQDRFFN-JXMROGBWSA-N 410.065 4.659 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 408895788 OFAMMDIRDRLWID-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OC 409315282 ISIXWZFZKHWYFL-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Cl)c1OCc1ccccc1 409369664 UUOQWZMAWNAGRI-XDHOZWIPSA-N 410.901 4.847 50 40 HJGB N#CC1=C(SCc2ccccc2Br)NC(=O)[C@H](C#N)C12CCCCC2 850032 FIXRSRDLEOQXTD-AWEZNQCLSA-N 416.344 4.638 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 4922799 SLKQQTPUFXKVAL-FQEVSTJZSA-N 405.523 4.613 50 40 HJGB N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9140067 ZLBHFEOWSOFGND-RMKNXTFCSA-N 424.613 4.695 50 40 HJGB CCCCCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851902 JRIAUUOFDOMHKZ-AUSIDOKSSA-N 416.525 4.858 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1 408805434 BABUZEQDBZMWDX-XNTDXEJSSA-N 415.287 4.791 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1 409188637 IOPRKWQXGAAVAM-MSXFZWOLSA-N 422.824 4.897 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(Br)c1O)c1ccccc1 409242691 SHRBYYPISLJMBQ-DKTFCQPKSA-N 405.679 4.592 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OCC)c1OCc1ccccc1 409373167 RKXZOCHBAQATRY-XQNSMLJCSA-N 416.521 4.922 50 40 HJGB O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(F)cc2)cs1 5243876 NALBDTBSEDMDOQ-UHFFFAOYSA-N 412.877 4.979 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 6049230 DKSOBLILWVEYLK-CPNJWEJPSA-N 401.393 4.843 50 40 HJGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1cccc([N+](=O)[O-])c1 12360460 VIQFUPBZALEMCG-RGVLZGJSSA-N 424.463 4.713 50 40 HJGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccncc1 32116878 UDJZFIKRAZXKRP-UUYOSTAYSA-N 412.858 4.558 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 50574970 CFSIZFGIKFDAIY-OWBHPGMISA-N 416.462 4.861 50 40 HJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1cccc(Cl)c1 408592525 YYIRJFUCZIQJPA-CIAFOILYSA-N 407.992 4.784 50 40 HJGB CCOc1cc(/C=N/NC(C)=O)ccc1OCCSc1cccc2ccccc12 4512423 OMJAKZMDNXBNSM-LFVJCYFKSA-N 408.523 4.880 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 6424078 DCJHRUPTPTVUCS-CYVLTUHYSA-N 415.456 4.840 50 40 HJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccccc1 35494296 CWBOWIRTWLDXGS-IWIPYMOSSA-N 423.310 4.721 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59297468 MQWQJUOTIQHRJF-LDADJPATSA-N 417.396 4.859 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1C 211431040 BPQRLTQXZBULNX-ZSOIEALJSA-N 400.232 4.520 50 40 HJGB COc1ccc(/C(C#N)=C/c2cc(OC)c(OC)cc2Br)cc1OC 408579728 JUNAFHMQRIKDOX-VGOFMYFVSA-N 404.260 4.548 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 408816004 KCOHSWAKSKQBPG-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC(=O)c1ccccc1 408884375 WWEROUMDBMFMDF-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cccc(F)c1 408975970 DEWXLBBOAJXKFC-RGVLZGJSSA-N 419.456 4.864 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 408993839 XEWLDTFHAVVTDY-UKTHLTGXSA-N 411.464 4.826 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1Cl 409201028 UNJWGDIUCOAAOA-BRVCPTFNSA-N 418.324 4.603 50 40 HJGB Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccc(C(C)C)cc1)C(C#N)=C(N)O2 1471903 QVLFWDJEXJYZOL-QHCPKHFHSA-N 411.505 4.547 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Oc1nc(Cl)ncc1F 16214971 WLZSOSVXSLBABS-ZROIWOOFSA-N 424.819 4.616 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC#N 59335748 IXFIDGDFSCNIKB-ZHZULCJRSA-N 401.466 4.570 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c(OC)c1 108155710 AFBSEFLNGKSRDH-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C(C)=O 408753400 IPRYGGOSCDTLTC-GDNBJRDFSA-N 413.271 4.596 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OC(C)C)c1 408814577 ZKNLROJXPNKAME-XNTDXEJSSA-N 415.287 4.791 50 40 HJGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)NC1=O 1454016 AKYMLOOYTQBRPL-LJQANCHMSA-N 407.882 4.900 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(OC)c1OC 3616446 SVQVNKKJHDMQAQ-KPKJPENVSA-N 407.253 4.565 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 39884728 IPXCRUYJBKNEFE-RVDMUPIBSA-N 418.365 4.617 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1Br 139307441 IREUXUDUTASENM-KPKJPENVSA-N 421.678 4.665 50 40 HJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1 409374387 OICFICIRNCKUJR-XMHGGMMESA-N 408.461 4.953 50 40 HJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Br)c3)c2C)n1 409381126 FNEURNUOHZMNGS-VCHYOVAHSA-N 423.314 4.917 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 1425111 HJXMYWYCENPIDN-RPPGKUMJSA-N 401.388 4.836 50 40 HJGB C=CCn1c(C)c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21 4675295 RKSDQPVTAQLCJT-HMMYKYKNSA-N 408.505 4.883 50 40 HJGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(I)c1 16137042 OREKNMLETWBIBZ-FYJGNVAPSA-N 420.294 4.743 50 40 HJGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccc(Br)c1 59473298 NAXLBFBANXDNNP-UDWIEESQSA-N 411.752 4.876 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)cc1Cl 67196965 YLYKXROMEWGBDQ-FOKLQQMPSA-N 419.264 4.791 50 40 HJGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719610 HMJNCWNFPZYHBF-FLVDCRJSSA-N 404.491 4.537 50 40 HJGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(I)c1 408885972 CDDXEZYKWDOFIH-LFIBNONCSA-N 424.241 4.990 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)c1 409057012 OJCGWIFGDZMMOE-MOSHPQCFSA-N 412.445 4.818 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409226988 OEIYXSMDTLYQNR-AQTBWJFISA-N 413.315 4.504 50 40 HJGB N#C/C(=C/c1ccco1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1454162 KSWKDHPJNUFQHH-LCYFTJDESA-N 414.284 4.635 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953666 SQQJAHUMHQBYCT-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1 6257861 FJBODEUDVJGQIO-WSDLNYQXSA-N 408.414 4.503 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1 20194392 ZHGRPHBOLIIGOD-FSJBWODESA-N 411.845 4.818 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC(C)=O 31906011 PULOROKBIFBQTP-PXNMLYILSA-N 424.453 4.956 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc([N+](=O)[O-])cc1 59304616 LAPNOUNDIIOONU-YDZHTSKRSA-N 402.410 4.512 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 59473486 ZNCFRFVCQQKWCI-MFKUBSTISA-N 418.518 4.598 50 40 HJGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)CCn1c3ccccc3c3ccccc31)C2=O 101102959 QZGRWQTUKOILIZ-JRLKXACYSA-N 401.510 4.682 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 107716546 LCNLMQBFVXNDSD-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)cc1 408812705 NJMWBVHHPPAPEZ-STZFKDTASA-N 416.452 4.637 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C)cc2)cc1 408820481 XYXUSEBDOTWWGO-HAHDFKILSA-N 412.489 4.806 50 40 HJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 1056094 JRLSVRDXABFRRO-VULFUBBASA-N 417.896 4.872 50 40 HJGB O=C(NNc1ccccc1)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 4728681 ZCQBOPAUOQCJHI-MOHJPFBDSA-N 407.473 4.754 50 40 HJGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(Br)cc1 6999236 GPBSAHMUBFEMIK-QKIXXSFTSA-N 411.299 4.910 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408999366 KPHFTSDHAAIFMM-GXDHUFHOSA-N 422.824 4.852 50 40 HJGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F 948058 ABMFYGDXMKUNJR-DEDYPNTBSA-N 423.465 4.752 50 40 HJGB CCCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1 1766577 GGOWOMVLWIBEIH-CAPFRKAQSA-N 406.482 4.978 50 40 HJGB N#CCCN(C(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1 2290344 OBIZNKKUBLCQSL-OBGWFSINSA-N 412.405 4.709 50 40 HJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 5515435 NQSBTNGCQXLZBE-BERGCFNWSA-N 403.718 4.983 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 5620976 MMSMPUDGSBSHKH-UVBVLWFHSA-N 403.507 4.644 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)COc1cc(C)ccc1C(C)C 13576863 IZSRWZOIBHUWBF-RMORIDSASA-N 409.313 4.963 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)cc1 16749881 QJPKKOOLUSOECX-KNTRCKAVSA-N 408.461 4.946 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 35086019 LCUWXXMNCWBPAC-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@@H](C)[C@]2(OO)C(C)=O)C1 70691727 WCCVKAYHSCWCEN-FXQIQADOSA-N 404.547 4.944 50 40 HJGB biogenic CC1=C[C@@H](C)[C@H]([C@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 97949481 JAPABBMFYHDZMU-ULDOEVFSSA-N 423.537 4.897 50 40 HJGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Br)cc1 4723458 IBXBEERETJWKGK-WYMLVPIESA-N 400.276 4.578 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 6581009 OWVKBHAXKZAFBY-XNTDXEJSSA-N 402.372 4.824 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC(=O)c1cccs1 9631428 IQUZKTAGZPLLDM-YFCLQTKISA-N 424.522 4.578 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 118917455 AUKSBJWTRCVBGS-BLPMWVLKSA-N 409.574 4.571 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(OC)c1 408884392 XPGGJYXCJTYDHN-GZTJUZNOSA-N 422.868 4.841 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCC(C)C 408971537 HWAUHLCQOIWMLO-ZMOGYAJESA-N 410.470 4.639 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 409055290 YIVCLWGMDOLZDL-FSJBWODESA-N 410.861 4.728 50 40 HJGB O=P1(CCc2ccc(Cl)cc2)C[C@@H](Br)[C@H](Br)C1 1560239 HSLOFKFMYMCCLI-VXGBXAGGSA-N 400.478 4.786 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCCOc1ccccc1 5006474 VLDHKWXJZNPQKF-CAPFRKAQSA-N 420.509 4.509 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)c1 5219548 ZZCQGRBHPRRDQD-HNNXBMFYSA-N 413.264 4.610 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCSc3ccccc3)o2)cc1 16157597 WIOUCEZPDFRASO-LFVJCYFKSA-N 422.506 4.756 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)c1C 59335507 DWSGMXTVCLZURY-LGMDPLHJSA-N 400.434 4.896 50 40 HJGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc(F)c1 59472644 RFWZYOOLSWBOBK-COOPMVRXSA-N 423.447 4.660 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408802584 ZDMVWNYHLHJIMT-CXDFQFJYSA-N 416.481 4.728 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1ccc(Cl)cc1 408848619 RKPQLDSDMXIKNF-KSEXSDGBSA-N 422.699 4.967 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408878839 CGRGZQVZLGLFCX-GXDHUFHOSA-N 403.251 4.923 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c1 3158220 XQMYSTXEVVAIPR-DHRITJCHSA-N 424.932 4.795 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(OC)cc3)o2)cc1 4836875 BDHONEJNQYGMNS-JXAWBTAJSA-N 416.433 4.678 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(C)=O 59117346 DSYXYVKAVALQPG-NTEUORMPSA-N 419.264 4.863 50 40 HJGB N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(Cl)c1Cl 59336019 GZMUMSHCPWYKGP-WTKPLQERSA-N 412.616 4.806 50 40 HJGB O=S(=O)(O)c1ccc(/N=N\c2ccc(N(CCCl)CCCl)cc2)cc1 104189257 TZZKJIJYMBMITP-VXPUYCOJSA-N 402.303 4.633 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cccc(Br)c1 1227748 VHFLWOJEVKGQKE-UFWORHAWSA-N 402.075 4.528 50 40 HJGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 5186844 LDCVCWMFYWQKIC-WSDLNYQXSA-N 401.235 4.541 50 40 HJGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccco2)nc2ccccc12 7780913 JIZHASJHRLDHJN-FKORGFIESA-N 412.405 4.832 50 40 HJGB CCOc1ccc(OCc2ccc(C(=O)N/N=C3/CCc4ccccc43)cc2)cc1 33743068 RCFPPIXMKPVDEB-LCUIJRPUSA-N 400.478 4.745 50 40 HJGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(N(C)C)c3)c3ccccc32)c1 408997476 GRTLFUJGLJKSGG-JVWAILMASA-N 410.521 4.828 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 409066623 PDFCCJNOXHLTOC-NBVRZTHBSA-N 415.474 4.703 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCC 409176779 XMMIJBPGBBXCGY-MFKUBSTISA-N 406.869 4.668 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 841908 CCTHLXZAFBWVAH-QGZVFWFLSA-N 415.276 4.775 50 40 HJGB COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OC 4502933 UWIAJIXIKVPBEE-AFUMVMLFSA-N 418.518 4.657 50 40 HJGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 8558537 BXQTVCXKVAFFLB-PCLIKHOPSA-N 401.466 4.837 50 40 HJGB Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 8571361 JXUQHQMSAFKVEY-DEDYPNTBSA-N 413.433 4.985 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)OC(C(F)(F)F)=C2c2nc3ccccc3o2)cc1 16216479 PEFROHCFBZYXEV-MRXNPFEDSA-N 413.355 4.618 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 5874664 VSWZTFCFJOVZTJ-ATVHPVEESA-N 416.433 4.898 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1 102026148 OEVYJVCLAXRFPR-DYESRHJHSA-N 419.550 4.861 50 40 HJGB CCOc1cc(C)c(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1C(C)C 408844955 DPYGVCOLLZJIAR-WSDLNYQXSA-N 415.515 4.668 50 40 HJGB O=C(Cc1cccc2ccccc12)Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1 3088575 ZONASRDACNOWPR-OVVQPSECSA-N 408.457 4.752 50 40 HJGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1 6324339 ZKZHGEUHXHWWCP-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)Nc1ccc(Br)cc1 408959549 AUYQTQKPWZAASV-BKUYFWCQSA-N 401.308 4.513 50 40 HJGB N#C/C(=C/c1ccc(Cl)cc1)C(=O)N/C=N/OCc1ccc(Cl)cc1Cl 3041045 CNYPSVFNLVGUFV-AUWJEWJLSA-N 408.672 4.830 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 9075792 SHTNESXHPYZIPE-CHHVJCJISA-N 423.450 4.808 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OC[C@H]3CC3(Cl)Cl)c2C)cc1 15354856 QXXGDAVKZHPFBX-JDZKTDJGSA-N 419.308 4.747 50 40 HJGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)Cc1cccc2ccccc12 101157967 UJNCFMYCGHOHRA-MTDXEUNCSA-N 413.521 4.782 50 40 HJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(N3CCCC3)o2)c1 408854339 CTIKAFXVAXQAJR-UHFFFAOYSA-N 410.905 4.705 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1 408937249 NOHWVCYZGFICEK-STZFKDTASA-N 412.445 4.598 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408986695 CYSOQTNYIFKVEO-CPNJWEJPSA-N 420.896 4.943 50 40 HJGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1cccc2ccccc12 9088357 NQBGPARKXSHFGG-HXUWFJFHSA-N 413.502 4.550 50 40 HJGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 23214975 RPZRGTATDJWODP-IZZDOVSWSA-N 411.177 4.719 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1 59410622 YDVNHXIZVDRMQE-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1 409386856 NYSWVJDHHOUIMN-QGOAFFKASA-N 413.506 4.696 50 40 HJGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 2636853 HYIGTFKGMHUIGP-DHRITJCHSA-N 409.917 4.893 50 40 HJGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CCn1c3ccccc3c3ccccc31)C2=O 28297161 QZGRWQTUKOILIZ-DJEVIJOISA-N 401.510 4.682 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)o2)cc1Cl 880820 FKFYJQICXSZOCV-FOKLQQMPSA-N 419.264 4.791 50 40 HJGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 9301945 IQJWYILWCGPCNW-MFKUBSTISA-N 401.470 4.501 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408570838 ZDKXVMAEKCPWDS-SDQBBNPISA-N 416.250 4.936 50 40 HJGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n(-c2cccc(C)c2)n1 408727736 XGXLKFCWFFRNLR-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1cccc(F)c1 408783056 MRVWFBCUUNRXHA-MTJSOVHGSA-N 422.500 4.963 50 40 HJGB Cc1oc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1Br 408859247 NNSUMKMFGZOGBA-WBFHQNOSSA-N 401.713 4.635 50 40 HJGB CSc1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)cc1 409265492 IPMDULZQSGXIEY-LPYMAVHISA-N 403.935 4.629 50 40 HJGB CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCc1ccccc1)C(C#N)=C(N)O2 689309 RRJSWENERNNPPN-IBGZPJMESA-N 400.482 4.504 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1 5815455 XBVJZOSQKYKZKR-STZFKDTASA-N 412.445 4.818 50 40 HJGB COc1ccc2nc(/C(C#N)=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)[nH]c2c1 9263552 SQNIVRTUFPJDNS-XNTDXEJSSA-N 413.393 4.731 50 40 HJGB COc1cc(-c2nn(CCC#N)cc2/C=C(\C#N)c2ccccn2)ccc1OC(F)F 16695174 DSXDSDDIBLHCEP-LFIBNONCSA-N 421.407 4.533 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 35059025 DCDKTPXOTBFRJT-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CCc2ccccc2)c1C 408586073 BFMVKYZJVDHJLL-MFKUBSTISA-N 409.917 4.839 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1 4696401 QWVZHPFBWLQDDI-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccccc1 58871603 PDPGSGRBFAYIAH-NLRVBDNBSA-N 402.494 4.747 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C)cc1 408727493 ZYUMSTYJLAYRLU-MOSHPQCFSA-N 414.461 4.834 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Br)o2)c(Cl)c1 408740136 IRLMOEBATJNYFN-UFFVCSGVSA-N 420.694 4.867 50 40 HJGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408794511 SMDUHUWTFOWLMR-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB CCOc1cc(Cl)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409017648 NUJRRGMHAZOGFR-YVNNLAQVSA-N 407.253 4.911 50 40 HJGB CN(C)c1oc(-c2ccc(Cl)cc2)nc1P(=O)(c1ccccc1)c1ccccc1 33353034 UBOZPNCDJKMPRY-UHFFFAOYSA-N 422.852 4.700 50 40 HJGB N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1437711 IGGUEXWUCMCUHJ-BHGWPJFGSA-N 414.248 4.654 50 40 HJGB O=C(N/N=C/c1ccncc1)c1ccc(CSc2nc3ccccc3s2)cc1 3307449 VVFOEPVUWIDJPG-YDZHTSKRSA-N 404.520 4.748 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1O 5740952 ZZFKXXQDCXDMMR-DHRITJCHSA-N 403.869 4.813 50 40 HJGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCc1ccccc1 8209755 YIVDZHNTVSPCEP-UYRXBGFRSA-N 400.434 4.525 50 40 HJGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1 8385991 OCVLRIUTKFWBMK-XIEYBQDHSA-N 412.530 4.964 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8842921 PFEXJXPFJHCRBU-MSXFZWOLSA-N 417.343 4.566 50 40 HJGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 12562158 XDOOBDSAWWRPCM-YSURURNPSA-N 404.219 4.965 50 40 HJGB Cc1cccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 59472635 MEGZVQJQMZIFAF-FVDSYPCUSA-N 419.484 4.829 50 40 HJGB COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1OC 59472992 MZEOPUZOJYGZPK-BUVRLJJBSA-N 406.507 4.760 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 408591895 VXKVFXQGTCBSRF-FSJBWODESA-N 410.861 4.728 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408886162 INHVUHYMZWHXON-CPNJWEJPSA-N 416.408 4.649 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)oc12 408972681 QPKVJGNVJNXJEI-MFKUBSTISA-N 400.434 4.784 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1OC 2318922 UQDIGLNCRUGBLN-MFKUBSTISA-N 403.482 4.674 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 28216301 RXEXBCDFXFXGIT-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 106336608 PWMMYQACOHGGEJ-YZSQISJMSA-N 412.493 4.657 50 40 HJGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1Cl)[C@H](C)CC(C)(C)N2C 208213083 HVUNYRAZJJKDDJ-UOKWBDCBSA-N 413.949 4.900 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 408833225 SDFGEOKMHSDNSC-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cc2ccc(OC)cc2)c1C 408959657 CQCVWHWFUOCELG-QQXSKIMKSA-N 403.526 4.666 50 40 HJGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1 409002227 MLAPBGSYVGNRLC-KHSOTRJGSA-N 403.869 4.756 50 40 HJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(F)cc1 2355851 URPNOQOCOJSXSO-LCYFTJDESA-N 410.788 4.983 50 40 HJGB C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1ccc(OC(F)F)cc1 5020436 MAXCFCWSWFBXCG-WGOQTCKBSA-N 410.420 4.874 50 40 HJGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 15228785 WPXKORCWLNYCNY-IYKRSIQTSA-N 412.873 4.900 50 40 HJGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 40948942 RHYNSOHDFCSSJZ-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CSCc2ccccc2)cc1 59473384 SCOVJMACOAYZOF-OEAKJJBVSA-N 405.479 4.792 50 40 HJGB COc1ccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCC2)cc1 225531242 HULFGOQUEHAVAL-UHFFFAOYSA-N 418.331 4.919 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2C)cc1 408897673 SLOZXBJFRXYOJL-ZMOGYAJESA-N 418.522 4.786 50 40 HJGB COc1c(Cl)cc(Br)cc1/C=N/NC(=O)c1ccc(C)c(Cl)c1 409056993 ODTFABZUSKDTOP-DNTJNYDQSA-N 416.102 4.837 50 40 HJGB N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 11853108 LCDNFJBSMCDLGK-FMIVXFBMSA-N 411.374 4.742 50 40 HJGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3Br)cc21 208200440 FBXJPHCOGGSVCW-JMKVTYIUSA-N 414.347 4.935 50 40 HJGB CCOc1cc(Cl)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408962884 KXOMQRIIVUGSHE-AUEPDCJTSA-N 400.784 4.530 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409229098 JRZZEHDYGUGVDN-YSMPRRRNSA-N 401.441 4.601 50 40 HJGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 668484 FAZGSLOZBZHMPV-LSHDLFTRSA-N 405.237 4.635 50 40 HJGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)[C@H]2c1ccsc1 1065117 DXUBASFASHZIKC-HXUWFJFHSA-N 400.507 4.561 50 40 HJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 3033279 JXVCZTAEMTVCOD-ZVHZXABRSA-N 421.453 4.681 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2ccccc2o1 59304392 SWXFPGCULQBWFW-FOKLQQMPSA-N 408.797 4.808 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59676725 JQDTYZJOYSPJEI-HKOYGPOVSA-N 424.548 4.658 50 40 HJGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408752435 AODATRUBZKSCBW-JYRVWZFOSA-N 419.662 4.573 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N(C)C)o2)cc1 408854866 ANQNTNBQUJSWPX-ONUIUJJFSA-N 412.493 4.876 50 40 HJGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408888806 AYHWYVRAUHFYQK-KPKJPENVSA-N 421.678 4.665 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408972327 ANPKHIAZGBDVPG-PCLIKHOPSA-N 401.466 4.691 50 40 HJGB O=C(N/N=C/c1ccccc1Cl)c1ccn(Cc2ccc(Cl)cc2Cl)n1 694842 SUWGMGYEKCDMFV-LSHDLFTRSA-N 407.688 4.656 50 40 HJGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1[N+](=O)[O-] 4906261 NHMWTUSSUWNZTH-YDZHTSKRSA-N 403.463 4.548 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC 408820041 SRUVZMGMAAEGIF-RGEXLXHISA-N 404.441 4.511 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 409185584 MWHYWWOCUMVUDH-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB CCOc1cc(Cl)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409199205 BTPYTNBLPQGFLQ-UFFVCSGVSA-N 413.326 4.643 50 40 HJGB COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409331986 FLEVGFLGMBBHDN-QFEZKATASA-N 424.884 4.700 50 40 HJGB CC1(C)O[C@@H](CPc2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1 1569989195 JBCFFKPJIXJYLO-ZEQRLZLVSA-N 422.445 4.643 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 1438747 YOQISUXQHUFCLO-XDHOZWIPSA-N 416.408 4.649 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)o1 14407520 KVMZMUIKAHPWRT-WSDLNYQXSA-N 413.271 4.693 50 40 HJGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cc(C)ccc1C 408720182 VHSRNAOIXOIUSR-RCCKNPSSSA-N 405.361 4.840 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408964324 QTPOSVRQVIMILY-YSURURNPSA-N 415.198 4.788 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 408997972 PIWKFKQUNRXFKY-FMCGGJTJSA-N 414.278 4.760 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(OCc2ccccc2)c1 705791 WLIASQLZDHSSSF-JOCHJYFZSA-N 400.478 4.716 50 40 HJGB COc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] 4827065 NROREUVKSLFWQU-AUWJEWJLSA-N 408.395 4.699 50 40 HJGB N#C[C@](Br)(c1nc2ccccc2[nH]1)[C@@H](Br)c1ccccc1 5642595 AOFZPODPWSJDJT-GOEBONIOSA-N 405.093 4.813 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cccs1 6209322 VZYYTYNRJSACQX-RVDMUPIBSA-N 401.447 4.916 50 40 HJGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2C(C)=CC1(C)C 208508906 RPRPNKVUAIUVKZ-AFUMVMLFSA-N 411.933 4.891 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Cl)cc2)o1 408592527 YZDVPCCWVVZPEA-ZMOGYAJESA-N 404.857 4.858 50 40 HJGB COc1cccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)c1 2760186 CHQPKPKBOAUTDK-OAQYLSRUSA-N 405.885 4.653 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 13424151 NWPJPVLAIHSHAN-XNTDXEJSSA-N 422.824 4.852 50 40 HJGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CC(C)C)c1C 20243826 VXSFWNIBQAXHDP-SSDVNMTOSA-N 404.352 4.970 50 40 HJGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)ccc1OCc1ccccc1 59401716 SBRVJBMZZDVMKE-OAKZWBAKSA-N 420.534 4.905 50 40 HJGB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2OC(=O)N(CCCl)N=O 263601115 KTQUNVRSLAGBSY-KKEPMVJESA-N 408.926 4.856 50 40 HJGB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@H]2OC(=O)N(CCCl)N=O 263601117 KTQUNVRSLAGBSY-WCBHIPQGSA-N 408.926 4.856 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C 408567401 MQBIXWVEQMXCKE-FSJBWODESA-N 411.845 4.818 50 40 HJGB Cc1nc2sccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 408782582 KONWLUAMLAMSOT-SSDVNMTOSA-N 411.918 4.529 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 408853295 QTJCHQVAQKRRSH-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB N#C[C@@](Br)(c1nc2ccccc2[nH]1)[C@@H](Br)c1ccccc1 5642591 AOFZPODPWSJDJT-HOCLYGCPSA-N 405.093 4.813 50 40 HJGB COc1ccc(/C=N/NC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 6625445 CUTRXLDUWQXFGE-NOBQDDEISA-N 404.514 4.632 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 40006589 LMWSWJNEMGNZGO-WOJGMQOQSA-N 422.868 4.744 50 40 HJGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2[C@@H](C)CC1(C)C 223543902 RAWSIOZQENEKMQ-GCMSVZMUSA-N 408.502 4.859 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223547203 LPLQQPFUMZBYSV-OMTSMLQXSA-N 423.557 4.725 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 408745198 QAJRWJXRJMRHDS-ATVHPVEESA-N 416.433 4.898 50 40 HJGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(Cl)cc4)cc3C2)cc1 408822867 ZNAHDBLIAFHMKP-MXAYSNPKSA-N 405.885 4.633 50 40 HJGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)N1CCOCC1 409212501 MTRMXCBAHGCETB-KQWNVCNZSA-N 421.500 4.609 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1Cl 1100294 YJTRHHKSPXFCNA-RVDMUPIBSA-N 412.873 4.742 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)o1 1106123 LLTBCYWVUYICRY-MFKUBSTISA-N 413.433 4.508 50 40 HJGB Cc1ccc(C(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)cc1 209605463 NQYYLEQEEPSPRH-OCKHKDLRSA-N 410.109 4.592 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 223479872 VEZRJXRVJBMRRR-YSMPRRRNSA-N 421.541 4.635 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)o1 408566203 FEUCZXWFXANOKO-WQLSENKSSA-N 404.357 4.943 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)c1 408727243 VKBPNZPNNUNGNM-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl 408814552 ZJTRULXQLAQCCY-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408904839 PJEQWYDHIKYWJK-HTGCFNNUSA-N 415.833 4.936 50 40 HJGB COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 658939 RIXOULKBINGGHG-HSZRJFAPSA-N 408.461 4.561 50 40 HJGB Cc1cc2c(c(=O)o1)[C@@H](c1cccc(COc3ccccc3Cl)c1)C(C#N)=C(N)C2 1073891 LXMCOIZLEQDYEI-QFIPXVFZSA-N 418.880 4.605 50 40 HJGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)cc1 3628361 DRBGNAYYVUURPH-XMMPIXPASA-N 412.445 4.521 50 40 HJGB Cc1cc(C)cc(OCCCOc2ccccc2/C=N/NC(=O)c2ccccc2)c1 4673416 YOYKSENHURMQMC-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 33959659 DSOAIXYMLILWEI-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc3c(c2)OCO3)cc1 59335772 PGOGERVUXSRDOH-MOSHPQCFSA-N 412.445 4.848 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408788597 LMIMIENLMORHMW-XNTDXEJSSA-N 415.276 4.950 50 40 HJGB CCOc1ccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 409186887 JCEGJUSACKZXQB-XKZIYDEJSA-N 421.482 4.861 50 40 HJGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1 33719339 VUOVSLKWUQUZOG-RRAHZORUSA-N 422.484 4.865 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1 60809984 RWTQBGTUYOTJFH-VULFUBBASA-N 419.868 4.563 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1OC 103781006 RKTJXBHRQJKQTF-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21 208208542 VSBPSZMRRVHEIK-WYZSWBMLSA-N 400.526 4.963 50 40 HJGB Cc1ccc(COc2ccccc2[C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409096807 LCOALPAZEUHEFR-DEOSSOPVSA-N 412.445 4.521 50 40 HJGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1 409372680 ZWCFJCXPJQTBPJ-NRFANRHFSA-N 421.566 4.925 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CNc1ccc2ccccc2c1 1244957 PKIUTDWPZIZQGT-VULFUBBASA-N 417.900 4.550 50 40 HJGB C/C(=N/NC(=O)CSCc1ccc(Cl)cc1)c1cccc(Br)c1 4187596 QHTFXFHXCHVNHX-NDENLUEZSA-N 411.752 4.876 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 6289630 VYYQQVHLKUWDJT-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203688 NJNRARNAZAZCRG-ZVHZXABRSA-N 424.342 4.858 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)cc1 13511101 ZGOVKDUBXONYKF-RGEXLXHISA-N 400.434 4.977 50 40 HJGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 17306480 SQPORGLPMDDEFH-LFIBNONCSA-N 419.462 4.692 50 40 HJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(Cl)cc1 408590888 RCXKSXDQEYABNT-CIAFOILYSA-N 407.992 4.784 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408890166 OZIUKYCYEJFMLR-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB Cc1occc1C(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1 3330237 MZAYKZBCEVSESE-UDWIEESQSA-N 400.529 4.527 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 5945981 AWMUCZYCRNQYHX-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 9013304 PCXNPDWNDGLJRJ-QZTJIDSGSA-N 412.898 4.851 50 40 HJGB CCC[C@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1 20132627 RZRVJFVGZGFROR-ZETCQYMHSA-N 410.106 4.700 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 20197792 SIRYHMKNZAAJIF-WGOQTCKBSA-N 406.457 4.957 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(OC)c1 33516472 FWNQNOLCIFDNJZ-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1 107678853 UVWXLUCTQRJSKV-QFEZKATASA-N 417.465 4.931 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 118917457 AUKSBJWTRCVBGS-QTEWDNDGSA-N 409.574 4.571 50 40 HJGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1 408899234 OGSJNHYECJRRJG-KGENOOAVSA-N 412.445 4.818 50 40 HJGB CCCCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1OC 408906487 BXFLDMPEHNDJHW-KOEQRZSOSA-N 412.530 4.664 50 40 HJGB N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 408934098 COPDOSKHWIRQTA-SSZFMOIBSA-N 410.868 4.834 50 40 HJGB CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1 408960077 JBIQVFLKFUKYKE-ZVHZXABRSA-N 406.873 4.707 50 40 HJGB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4216507 DCVGANSDLNPXGO-WXLIAARGSA-N 406.950 4.627 50 40 HJGB biogenic,in-vitro O=C(N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1)c1ccncc1 4508457 LMMJCWLBVXISIU-BUVRLJJBSA-N 411.914 4.670 50 40 HJGB CCOc1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OCC 4676720 YXFAHFMQCJTZAC-NTUHNPAUSA-N 413.275 4.582 50 40 HJGB CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 4905585 HHMXENVJMBXDIX-UHFFFAOYSA-N 421.541 4.913 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 33471238 SYOJBCWYGWMXEE-ZSOIEALJSA-N 403.232 4.829 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(Br)c2)c1 408745334 LURYWESCYAYWES-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)c1C 408792130 IIMUMXXAEXGMGY-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB COc1ccc2nc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccccc3)[nH]c2c1 409390908 GEZMPVLJIMIHSI-AQTBWJFISA-N 424.460 4.653 50 40 HJGB CCc1ccc([C@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)s1 720256 JRTAZGOFFRCWJU-LJQANCHMSA-N 411.477 4.893 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)[C@@H]2Br 4185022 KDJJWYOMSAPXJR-WQVCFCJDSA-N 401.142 4.977 50 40 HJGB N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 44024829 YOKUITHFUDLYII-GIJQJNRQSA-N 404.278 4.517 50 40 HJGB N#C/C(=C/c1csc(Br)c1)C(=O)Nc1ccccc1Br 48333094 VJAPJXBDIICRSR-YHYXMXQVSA-N 412.106 4.819 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1[N+](=O)[O-] 408599525 VRLRAEIHAUXXQY-FOKLQQMPSA-N 403.316 4.638 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1 408759146 YOEXROKQYUCDCY-QGOAFFKASA-N 424.460 4.696 50 40 HJGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc21 408806720 BCPOUKBSUAUEML-CPNJWEJPSA-N 415.493 4.675 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OCC 409316374 YQUGPYDDISTEIV-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1 409368480 XYHVJGJOVNECBZ-NRFANRHFSA-N 421.566 4.925 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1 670188 SONLCBIDBTUUEN-UHFFFAOYSA-N 402.494 4.625 50 40 HJGB O=C(CCc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 1102798 OZUCKPCHKMAKQV-LFVJCYFKSA-N 400.507 4.684 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccc(Oc2ccccc2)c1 7343685 KFLOKMSUMYGTDO-OAQYLSRUSA-N 407.429 4.539 50 40 HJGB O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2cccc3ccccc23)n[nH]1 33329886 ZKNNQPRULRHQNT-QRVIBDJDSA-N 419.282 4.756 50 40 HJGB CC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)cc1 55079218 BPWKOTWKUHJPJD-UHFFFAOYSA-N 400.526 4.837 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc(F)c1 59282288 IKUCRECYSNEKHA-UNOMPAQXSA-N 408.473 4.769 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)o1 408803803 APPCXVKTBUWNFR-IQFISFIMSA-N 401.422 4.948 50 40 HJGB N#CCCN(C(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 2300984 JZBLCLNZZNYTRP-BMRADRMJSA-N 412.405 4.709 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccn1-c1ccc(C(=O)O)cc1 4092133 SXFOBDFNRVSPLS-LFIBNONCSA-N 405.841 4.683 50 40 HJGB O=C(N/N=C/[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl)c1ccccc1Br 4844439 NNIQYZNRBINYPE-SVUDFFFFSA-N 412.114 4.752 50 40 HJGB CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)CCCCl)c1ccccc1F)C2 95933549 QQRQUTSPQINSKG-FQEVSTJZSA-N 409.910 4.500 50 40 HJGB in-vitro COC(=O)c1ccccc1-c1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)o1 100802069 IVZIFLIUJOJJIB-ZDLGFXPLSA-N 422.444 4.742 50 40 HJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccccc1 102876711 FOJJICUQYTWXSH-SVMUARDGSA-N 406.526 4.941 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1 408817838 MFECBNJKTPRMKO-RGEXLXHISA-N 402.473 4.845 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 4749780 UONXXXKWCBNGLU-XDHOZWIPSA-N 403.507 4.987 50 40 HJGB COc1cccc2cc(SSc3cc4cccc(OC)c4oc3=O)c(=O)oc12 9235414 NJNBCAUCBFDTBV-UHFFFAOYSA-N 414.460 4.716 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 13785486 DBEQXYRLYYWHMD-RGEXLXHISA-N 402.473 4.845 50 40 HJGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719412 DPEHWKXMTQSFBB-LEBHPONQSA-N 418.518 4.678 50 40 HJGB O=C(CSc1ncccn1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13095907 JALQSBMVASXWDE-LGJNPRDNSA-N 416.428 4.655 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1O 59117006 DGANNXWIEWWRJO-WUXMJOGZSA-N 421.678 4.752 50 40 HJGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI 100434413 KEHJVWWDDAAVHB-UHFFFAOYSA-N 423.991 4.915 50 40 HJGB COc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 2216275 QPWQUGRTTGLTQP-GOSISDBHSA-N 411.914 4.568 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4502511 VENLOHAOVYHXIN-MFKUBSTISA-N 404.535 4.958 50 40 HJGB CCCCCCCCNC(=O)/C(C#N)=C/c1ccccc1I 97980654 KFSYVHRQDZDDNX-DTQAZKPQSA-N 410.299 4.675 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1 408790090 NLAJHDMVOAWKMQ-VGOFMYFVSA-N 419.264 4.565 50 40 HJGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1 409373667 YRDADJDAZATMNW-NRFANRHFSA-N 405.498 4.760 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(OCc2ccccc2)c1 705790 WLIASQLZDHSSSF-QFIPXVFZSA-N 400.478 4.716 50 40 HJGB CCOc1ccc(/C(C)=N\NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1 1469514 MMHOFHCGEPTNBS-ITYLOYPMSA-N 403.526 4.849 50 40 HJGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1 2310396 JHMIBFZGZWJGER-LJQANCHMSA-N 419.550 4.829 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2C)cc1 2859877 LVIKIINHAVZCKN-KGENOOAVSA-N 413.477 4.735 50 40 HJGB Cc1ccc(NC(=O)[C@@H](NNC(=O)Cc2cccc3ccccc23)c2ccccc2)cc1 10757170 WKQRPKSOWTUHCT-SANMLTNESA-N 423.516 4.692 50 40 HJGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl 35525280 SZIHDUIUCBOZOH-QFEZKATASA-N 408.885 5.000 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCc1cccc2ccccc12 408723616 YBJWKFUYQSERPQ-JVWAILMASA-N 411.461 4.586 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)c([N+](=O)[O-])c1 408898812 XTYSNMZGTSEKIO-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB Cn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3Br)ccc21 655106 WIVPXBGHELJCQV-YDZHTSKRSA-N 406.283 4.858 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 58823374 BLCNMMNAPMNYQB-DHRITJCHSA-N 412.848 4.831 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl 104156068 MDERDOXWFWUJNE-UHFFFAOYSA-N 424.063 4.828 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 108918408 KXPTYGXKHBWLLP-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408791117 UGJKPFSKBCDYFX-WUXMJOGZSA-N 406.225 4.846 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sccc3C#N)o2)cc1 17091042 SUKVHHMQYAFWOK-GZTJUZNOSA-N 417.446 4.602 50 40 HJGB CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1 1453339 RHSAVSWLRWVMDU-NBVRZTHBSA-N 400.434 4.977 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1 2200525 ULTIYKVGGYITLF-DTQAZKPQSA-N 405.479 4.972 50 40 HJGB C=CC[C@H]1S/C(=C(\C#N)C(=O)Nc2cccc(C)c2C)N(c2ccccc2)C1=O 2218035 SRHYUZKBNAUCTK-SXKRPYPPSA-N 403.507 4.702 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1 2274746 XLNFILWAHOPORS-XMHGGMMESA-N 400.434 4.977 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5893211 ROJRSRCOTICZAR-MOOGOSANSA-N 403.526 4.849 50 40 HJGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 9088900 OIYGODIKPDMFNL-LJQANCHMSA-N 419.550 4.631 50 40 HJGB N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 107809242 HSAXDCUWVBEFCL-FSJBWODESA-N 416.418 4.705 50 40 HJGB CCCCCCCn1c(O)c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21 135662231 MFMJTTVVVUEVSW-WGOQTCKBSA-N 423.488 4.581 50 40 HJGB COc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408832381 YGGNWESHDWOWET-FOKLQQMPSA-N 419.264 4.791 50 40 HJGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408861699 FVIKCDLJUOXAEN-PCLIKHOPSA-N 401.491 4.645 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(C(=O)O)cc1 408934796 MNMOGQQTRTYTIJ-VBKFSLOCSA-N 405.841 4.683 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 409143194 ZNKAXTQHBIBGHH-OAQYLSRUSA-N 424.859 4.873 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 6322376 XJJYZQJYJCAMII-SSDVNMTOSA-N 409.398 4.973 50 40 HJGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)c1 7384634 DDFTWPYLUOHIMB-OVVQPSECSA-N 413.521 4.938 50 40 HJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2)cc1 33776413 NAIIHZUVQZGORW-STZFKDTASA-N 412.445 4.775 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3)c2C)c1 408966271 LBHANZKAUBXQIP-MYYYXRDXSA-N 418.497 4.735 50 40 HJGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(F)c3)=C2C#N)cc1 2311078 QGXXVGZQCYDPAP-IBGZPJMESA-N 423.513 4.660 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 4705352 AVXNBAYOVPECSG-GHRIWEEISA-N 402.406 4.589 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(O)cc2)c1C 6545760 UXXYGHXBKPFOCI-CVKSISIWSA-N 413.477 4.725 50 40 HJGB CCOc1cc(Cl)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCC 7385787 GTDOFKJBVORXLH-BUVRLJJBSA-N 415.921 4.502 50 40 HJGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 21966133 MYQZWTHIACWPRJ-BUVRLJJBSA-N 423.856 4.981 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1OCc1ccccc1 100063886 FOJJICUQYTWXSH-AAASUVCVSA-N 406.526 4.941 50 40 HJGB CCCCCCc1cc(C(=O)N/N=C\c2ccc(O)c(OC)c2)c2ccccc2n1 104371985 SAPDSJOLECHRIM-XYGWBWBKSA-N 405.498 4.836 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408531108 NFIZLGPUPALONE-VULFUBBASA-N 407.901 4.790 50 40 HJGB CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(OCC)c1 408904679 MZHVQYYIRSKPNN-MTJSOVHGSA-N 420.307 4.711 50 40 HJGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1 409163001 KLQBEBKUNQJPJP-FVRIDUAPSA-N 421.500 4.805 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 409186558 DTGOXQDFSWGTHE-UUYOSTAYSA-N 416.886 4.622 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC)c(OC)c3)cc2c1 409186793 HYACQKDVWRQWMJ-FMCGGJTJSA-N 416.861 4.656 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1 3255481 FCXRSIISXXABRQ-WOJGMQOQSA-N 419.868 4.991 50 40 HJGB N#CSc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1 4622071 OKKMPWXHAMTBRW-UHFFFAOYSA-N 410.459 4.828 50 40 HJGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 4814084 BVGJOUNXNHZQFC-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB C[C@H]1CCc2nc(/C(C#N)=C\c3ccccc3I)sc2C1 5676433 JYXWQERMWCQRNU-KWJWQAOWSA-N 406.292 4.937 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 15226971 MFQYPUGFQQGRJY-JCMHNJIXSA-N 421.500 4.922 50 40 HJGB COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 32561690 WOQGZUJBULJJOB-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc([N+](=O)[O-])cc1 34895299 JLFBVPPBQJOACQ-KSEXSDGBSA-N 403.316 4.638 50 40 HJGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1O 408599588 WXNTXBOYAIANQF-XGICHPGQSA-N 411.626 4.723 50 40 HJGB N#C/C(=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1)Cn1cnc2ccccc21 408691765 PHQUTFYLOXMDFY-WJDWOHSUSA-N 400.394 4.724 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 409215445 YVNILQQQOAYSIE-JCMHNJIXSA-N 412.493 4.597 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409353435 KWNBBMIMPLFSBS-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(F)c3)o2)c(Br)c1 8368399 TVIKTIOUKWJDDM-SSDVNMTOSA-N 401.235 4.921 50 40 HJGB N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 20170873 AFNLLOKJDJYLNH-JOCHJYFZSA-N 416.502 4.778 50 40 HJGB COc1ccc(C(=O)OC[C@H](CCl)OCc2ccc(OC(F)(F)F)cc2)cc1 96028532 MZTNEJYTZOHGNF-KRWDZBQOSA-N 418.795 4.575 50 40 HJGB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 100958920 YXRUFHQGTGUJHX-DHDCSXOGSA-N 413.846 4.540 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)c(C)c1 408792412 BIGPFMJMBRHLFX-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1 408798650 WNMUMQHQALOHEB-NBVRZTHBSA-N 400.434 4.571 50 40 HJGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 408820176 VVYLBHCPJIVVNC-WYMPLXKRSA-N 416.308 4.972 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)ccc1OC 409313895 DJDUCCQUDHFTNO-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB C/C(CCC(C)C)=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 5163443 CJGROXDFNJZYFN-PXLXIMEGSA-N 421.950 4.683 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Br)cc1 5603452 TXGRDPIWADPAAI-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1 12420903 CTWMCPWPHISBSN-UVTDQMKNSA-N 422.824 4.852 50 40 HJGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 31628966 YOQVUEDUVMFEKP-HBDSXEKQSA-N 404.084 4.967 50 40 HJGB Cc1nc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccn12 32922425 VEXXKFITDIVWGW-XYOKQWHBSA-N 404.779 4.861 50 40 HJGB Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccc(Br)cc1 59333857 JPMIRRDMLDYQEL-ATVHPVEESA-N 422.326 4.756 50 40 HJGB Cc1ccc(SCC(F)(F)F)c(NC(=O)NNc2nnc(C3CC3)s2)c1 95942668 XKENSBXQDCWPJS-UHFFFAOYSA-N 403.455 4.527 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1Cl 408745705 OKUICIVCHMILRG-PTNGSMBKSA-N 406.825 4.932 50 40 HJGB C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409203212 WQEDCLDCCOKPGC-DHDCSXOGSA-N 415.243 4.995 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c(C)c1 409208742 BVMXXXQMUCLXCT-HMAPJEAMSA-N 412.493 4.651 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 1319633 LHWZGTXXBAZGBF-LVCXCXRVSA-N 419.319 4.500 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(Cl)c1 4827484 GWXPVRCFHITSAZ-FBCYGCLPSA-N 402.075 4.534 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3C)o2)ccc1Cl 9201021 XBENGEWRFKCDGH-ZMOGYAJESA-N 410.857 4.849 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 59432631 GBAUGDWKBOIICI-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1 408582277 MRTKYRCZYWGQLB-HMMYKYKNSA-N 405.475 4.836 50 40 HJGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccn1-c1cc(Cl)cc(Cl)c1 408753746 CDUOVZHUTNVJIY-LSCMLXDISA-N 416.308 4.748 50 40 HJGB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 408946482 AKQOWCVJEQUFIU-QNGOZBTKSA-N 408.505 4.841 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1Cl 408995149 ACKJJOHZNDREBA-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 1191559 LFKIUZOOOHEMRM-PDGQHHTCSA-N 416.437 4.557 50 40 HJGB COc1cc(/C=N/NC(=O)c2cc(C)oc2C)ccc1OCc1ccccc1Cl 6790851 QQBGHFDKPQYSPT-WYMPLXKRSA-N 412.873 4.901 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 34746737 ZULSVGFUMFJAOZ-MYYYXRDXSA-N 422.868 4.722 50 40 HJGB CC1=C[C@@H](C)[C@@H]([C@@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 102667936 JAPABBMFYHDZMU-QMWXCIFZSA-N 423.537 4.897 50 40 HJGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1 408762935 LXIHXNJRPMIXPK-JFLMPSFJSA-N 402.542 4.836 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1cccc2ccccc12 2216875 LBDFFCVYTXCXCJ-FYJGNVAPSA-N 400.478 4.859 50 40 HJGB Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2784759 YBGVEFBEYXUEJU-UHFFFAOYSA-N 409.942 4.798 50 40 HJGB C[C@@]12CC3CC(C(=O)N/N=C/c4cc(Br)ccc4O)(C1)C[C@@](C)(C3)C2 100489683 WYNUMOOXXOWVFX-RZGBVJLCSA-N 405.336 4.601 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408806880 NMXGGOMMWABGHW-BRFSQIRFSA-N 413.315 4.850 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 408812978 CLJBDYGXQUBCSN-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB CCCCC(=O)N/N=C/c1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1 2187609 MZHSHYRMCXPQTE-OEAKJJBVSA-N 408.483 4.935 50 40 HJGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 9088899 OIYGODIKPDMFNL-IBGZPJMESA-N 419.550 4.631 50 40 HJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC 20195261 CQMUTQLZBQFNOJ-ZVHZXABRSA-N 400.906 4.613 50 40 HJGB COc1ccc(C=O)cc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1 104387498 LFJVQNBDGCSPQE-UHFFFAOYSA-N 412.469 4.734 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408790076 NDFFRTJGRIYLMC-WOJGMQOQSA-N 408.885 4.913 50 40 HJGB COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 900748 DNIXXEALXSNVNN-IBGZPJMESA-N 414.852 4.663 50 40 HJGB C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 3082107 KSTGLQAFUTWIIO-KTMXNEEYSA-N 416.102 4.674 50 40 HJGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1ccc(Br)cc1 4187469 OEADGOWRQHYYOF-HZHRSRAPSA-N 416.319 4.509 50 40 HJGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCC(=O)Nc1ccccc1 6627925 DOAQKPOOHOMLQJ-AQTBWJFISA-N 402.425 4.916 50 40 HJGB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(C)=C(C#N)[C@H]1c1ccc(Cl)cc1 25193925 ORLIUFTXPDOIIM-LJQANCHMSA-N 423.856 4.707 50 40 HJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408878343 ARWXSIBSOGYLCI-RIYZIHGNSA-N 415.833 4.510 50 40 HJGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NC1CCCCC1 408982660 JKTZVAKVZKFWJI-STZFKDTASA-N 408.505 4.917 50 40 HJGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)c(C)c1 8968831 PRKDMVARMLESRZ-IBGZPJMESA-N 419.550 4.631 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(F)cc1 20195127 XTZRUOBAWVEJLM-JFLMPSFJSA-N 420.484 4.723 50 40 HJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2c1 33740228 PWBRUWNQYSNITJ-CVKSISIWSA-N 414.461 4.783 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1 100600982 ULTIYKVGGYITLF-SSZFMOIBSA-N 405.479 4.972 50 40 HJGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc2c(c1)OCO2 408565810 ASCOPXTYVLYAIS-PXNMLYILSA-N 400.413 4.902 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408785232 VCISBMREAAGKPY-WQRHYEAKSA-N 416.437 4.557 50 40 HJGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1C 409200431 LINPCJMMUQKWHI-RAQUAXEKSA-N 404.901 4.813 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)ccc1OC 409330537 BBGSITSJVBIENV-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB O=C(COc1ccccc1Cl)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 3031882 ADTVVESQYZUJFI-VULFUBBASA-N 417.896 4.872 50 40 HJGB CCCN1CCC(=NNC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)CC1 55079232 KNUJPDTWSIBCIS-UHFFFAOYSA-N 406.555 4.863 50 40 HJGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408724673 GSHAOHAMOIXAHI-UURWHXEYSA-N 401.850 4.785 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408962639 ISOUJEBIGQXHMT-LSHDLFTRSA-N 415.209 4.631 50 40 HJGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)NC1CCCC1 409191614 JFBWTQJQUKULLT-ZDLGFXPLSA-N 424.884 4.583 50 40 HJGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)c2)cc1 1438733 AUHRJMKAFCLPKP-CIAFOILYSA-N 412.445 4.818 50 40 HJGB COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 1789632 RMQSWIMGJWIRDD-UFFVCSGVSA-N 417.943 4.715 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1O 3276558 BECKGXWEYLMCBE-OQLLNIDSSA-N 423.266 4.862 50 40 HJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)cc1 4132444 JQWWCIAVQYRKAQ-UFFVCSGVSA-N 409.711 4.870 50 40 HJGB O=C(Cc1cccs1)N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1 30738440 WABTYLIVQADVPM-XYGWBWBKSA-N 414.486 4.813 50 40 HJGB CC(C)(C)c1ccc(C(=O)N/N=C\c2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1 33938175 NCBTYRYGMWLAAF-XVNZRVQQSA-N 416.477 4.960 50 40 HJGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)c([N+](=O)[O-])c1 59432870 HSTSBEFHPMFFQJ-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCCC2)c(F)c1 108013935 FNCMRMDSVCBARV-WGOQTCKBSA-N 405.473 4.742 50 40 HJGB O=C(Cl)/C=C/c1ccc(OCc2cccc(F)c2)c(I)c1 226333397 TYCNPOLXTUVCKE-FNORWQNLSA-N 416.617 4.788 50 40 HJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl 408569002 LWXKBEYCLLNECW-WCIBSUBMSA-N 420.227 4.625 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408591826 VKDUBRFOUHDELY-VWXZLZIGSA-N 416.308 4.585 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Cl)c1 408838338 VDVGBYOBUCDSPR-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C 408965925 KDUQJYHIXPVEJE-YSMPRRRNSA-N 413.481 4.807 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 6685668 FUAXNHACLXTWMK-AFUMVMLFSA-N 412.530 4.768 50 40 HJGB COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc4ccc(Br)cc4cc32)c1 12952889 OARPBXHWWYPLOT-FQEVSTJZSA-N 407.267 4.829 50 40 HJGB CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(NC(=O)CCl)c1 100048675 CULIYQPRUGMRRT-WCWDXBQESA-N 414.853 4.905 50 40 HJGB in-vitro CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2c(c3ccccc3oc2=O)O1 101313719 HQUFNJWLRQSESP-LLXCYVELSA-N 406.825 4.771 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc12 408591266 SMQLTDJCJOWZOC-VULFUBBASA-N 411.461 4.740 50 40 HJGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)c1 409252125 QQUYAHDZONSWTF-DEDYPNTBSA-N 413.433 4.985 50 40 HJGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867510 BOIRBEIYJKNOSZ-WOJGMQOQSA-N 417.396 4.859 50 40 HJGB C=CCc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCCCCC)cc2)c1O 5245173 OBBWATNUHWPGNQ-WLXKGNRNSA-N 410.514 4.607 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3)c2)cc1 6279648 CHQCGPDHSKVYRZ-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccccc1Cl 32116982 CFBRKCGJTCBIMS-WGARJPEWSA-N 423.900 4.664 50 40 HJGB CCSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(O)CCCC2=N1 102870579 ALOVIOYRTLWETG-SFHVURJKSA-N 400.500 4.735 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408600240 APYGKRDGDKCVSM-MXAYSNPKSA-N 412.848 4.831 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(Cl)c1 409002617 VSPXWLUCYFMFEC-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 409196862 ROXNHRBINBLYRC-FBBDWWHMSA-N 421.859 4.816 50 40 HJGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21 1210953 KLOOAKYUQDEKRA-RVDMUPIBSA-N 404.267 4.583 50 40 HJGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NC1CCCCC1 3291742 WRLAHLPWGRLMSS-GXDHUFHOSA-N 403.313 4.843 50 40 HJGB CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OCC 10476030 KBZFEUBROOLIGT-BUVRLJJBSA-N 418.921 4.619 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1 13800247 AVGXKYLJWGGMCR-RAXLEYEMSA-N 407.357 4.548 50 40 HJGB Cc1cc(C)c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)c(C)c1 33760449 BUTGKZKRBXTWOH-QFEZKATASA-N 418.497 4.620 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OC 59201605 CQBAJBNLOQJBHM-OQLLNIDSSA-N 415.287 4.711 50 40 HJGB C=CCc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(OCC)c1O 408849221 VTUHUQXRXBAICR-WGOQTCKBSA-N 417.509 4.691 50 40 HJGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccc(Cl)cc1 408851087 HVJZQHXESOLEBB-SOFYXZRVSA-N 421.476 4.614 50 40 HJGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(-c4cccc(F)c4)o3)oc12 409010366 KCNIUWOKIZEOBU-FOKLQQMPSA-N 423.356 4.513 50 40 HJGB O=C([C@@H](Br)[C@H](Br)c1ccccc1)N1CCCc2ccccc21 1801210 AHKJJLSEHAGTSQ-SJORKVTESA-N 423.148 4.866 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 3150159 VGLRBPLBJPXZHB-NLRVBDNBSA-N 401.510 4.729 50 40 HJGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 3169650 QZOLPLMJAYSBOV-ZVHZXABRSA-N 411.502 4.838 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccccc1F 5006496 NHAZHIJHWZMEML-UKTHLTGXSA-N 410.788 4.983 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)c(C)s1 6300278 VNHQEIABDKCASR-OAHLLOKOSA-N 416.428 4.992 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1O 59266459 FEOSEKXJWHZGRB-LFYBBSHMSA-N 421.678 4.671 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 118912436 SMJCXQBAPTXOIC-IFQWWAKBSA-N 409.364 4.823 50 40 HJGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408531505 OHMLSZLWOISQTA-KBKYJPHKSA-N 405.351 4.667 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1C#N 408772992 OSMIPITYOCRMEX-OCKHKDLRSA-N 423.900 4.621 50 40 HJGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1 409266014 JCBZAUOARONGCX-DEDYPNTBSA-N 413.433 4.985 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)[C@H](Br)C2=O 4185838 VDOMLYFVXWUOML-JLZZUVOBSA-N 418.253 4.803 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 34115080 KFLVYUCNGBMMDP-GWXVHGFFSA-N 401.850 4.785 50 40 HJGB Cc1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)s1 55079237 UWXRHTDJMAQANX-UHFFFAOYSA-N 406.555 4.862 50 40 HJGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1O 408598547 CXERLVMYWGDVQX-IZZDOVSWSA-N 402.273 4.696 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)c1 408968741 YONMNBHQBUBDRX-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)Nc1ccccc1 3237220 QXURRBWMZIJEEV-UHFFFAOYSA-N 418.478 4.587 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 4587777 GDFIZMWCVZDSQM-JKRCVOSISA-N 411.461 4.932 50 40 HJGB CN(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1 408728383 KTZDEBWCJNMJRO-WGARJPEWSA-N 418.928 4.690 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1C 409382662 MYNVRJBALWKTRZ-ODLFYWEKSA-N 422.916 4.852 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCc1ccccc1 5234342 DSGJKDWGZKMDCE-SFQUDFHCSA-N 407.267 4.932 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)o1 5894993 GLRJZIKSVCKKBF-BUVRLJJBSA-N 414.421 4.718 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)cc1 36056550 MUPBRPJEEAKKQR-VGOFMYFVSA-N 409.423 4.505 50 40 HJGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 59474268 CQRORGRBSBTQML-MFKUBSTISA-N 418.518 4.809 50 40 HJGB CN(C)c1ccc(/C=C/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 408555326 XAMSGHILYJFULI-FRRFCNHWSA-N 402.523 4.666 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Br 408866684 HZKHWEYSEJKNKK-SFQUDFHCSA-N 409.283 4.569 50 40 HJGB CCc1ccc([C@@H]2C(C#N)=C(N)N(c3c(F)cccc3F)C3=C2C(=O)CCC3)s1 720257 JRTAZGOFFRCWJU-IBGZPJMESA-N 411.477 4.893 50 40 HJGB CCCCN1C(=O)/C(=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5898179 JHNHHYCCNQTBFB-TUUYGLIOSA-N 417.553 4.755 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccccc1 10060119 YLZIXCIVCBLOGM-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB COc1cc(/C=N\NC(=O)c2ccc(Cl)s2)ccc1OCc1ccccc1 33333664 SCCBRFJBCHMJPJ-UUYOSTAYSA-N 400.887 4.753 50 40 HJGB CC/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 59473720 DDLYNRDTHQJFLR-OVEYAIEOSA-N 406.935 4.768 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 108068933 ACEHPEMGNKLQQV-BRJLIKDPSA-N 418.371 4.747 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(C)=O 408758118 GUJFUEAGGKNOBQ-ZSOIEALJSA-N 419.264 4.863 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccccc1F 409204507 HNFKKOWWURYWIK-ZVHZXABRSA-N 412.486 4.558 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)c(Br)c2)c(C)c1 20195422 NPGYWDCNLHORRB-WSDLNYQXSA-N 403.320 4.546 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 59333899 LWDJDQKKGPAMOG-DHDCSXOGSA-N 419.706 4.677 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542515 JXANPITUJOAEEL-NVNXTCNLSA-N 402.244 4.619 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(C)C 408805886 IBDROQOVHWZZPQ-OQLLNIDSSA-N 415.287 4.791 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cccc(F)c2)c1 408898445 LJVXOSDPHSJYFZ-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)c(C)c1 408964781 DWOOOLOPRPANJL-UVHMKAGCSA-N 402.473 4.794 50 40 HJGB CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)C(C#N)=C(N)O2 32511752 KNCIHBWPEYXWCT-HXUWFJFHSA-N 420.900 4.813 50 40 HJGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NCc3cccs3)c2c1 59534480 KCVWVXFYESOENB-SFQUDFHCSA-N 406.507 4.922 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 409366021 XLFYAOWDIHHCBU-YDZHTSKRSA-N 411.845 4.763 50 40 HJGB COc1ccc(N(C(=O)CCCl)[C@@H](C#N)c2ccc(Br)cc2)cc1 2191110 KDKGIAHPQYETQV-KRWDZBQOSA-N 407.695 4.684 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 6683868 IEFXEIKVLANDLE-BUVRLJJBSA-N 416.506 4.763 50 40 HJGB O=C(CCl)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 72406722 PGNYURQZUBXOMB-ZDUSSCGKSA-N 404.841 4.580 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc2ccccc12 408592483 YNMUIXNZDLWKAP-MFKUBSTISA-N 412.449 4.919 50 40 HJGB COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1 408757549 ZRJTYBNQIHJZLJ-HKWRFOASSA-N 412.445 4.769 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3nc4ccccc4[nH]3)cc2)c1 408764311 SWBZDOSUCMSDSG-XMHGGMMESA-N 408.461 4.996 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 408782970 ZRHIKMRAIUAIMX-PXNMLYILSA-N 417.278 4.599 50 40 HJGB CCOc1cc(Cl)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408963901 PYLQEDPZQCUNLH-BHGWPJFGSA-N 414.811 4.920 50 40 HJGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccccc1Cl 4292543 QJOGDXARTPWYFA-HNNXBMFYSA-N 416.790 4.763 50 40 HJGB biogenic C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Br)cc1 16789640 ROIGMKHONFHWOX-NHDPSOOVSA-N 417.694 4.647 50 40 HJGB CC(C)Oc1ccc(C(=O)NNC(=O)c2sc3cc(F)ccc3c2Cl)cc1 17293630 DRPPKOZAGXYJFR-UHFFFAOYSA-N 406.866 4.556 50 40 HJGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33745002 SRLZBHXYQSWMDN-UUYOSTAYSA-N 405.435 4.735 50 40 HJGB COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336621 SUNWEIFIEKSDPG-GHXNOFRVSA-N 407.253 4.565 50 40 HJGB Cc1cn2c(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)c(C)nc2s1 96401387 GQEOKJDGVQTSSB-WUXMJOGZSA-N 412.323 4.658 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)o2)c1C 409391205 HUFXYLFKMCBOPX-PTNGSMBKSA-N 413.433 4.991 50 40 HJGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CSCc2ccccc2)cc1 862417 SFBGSWXZFPMFME-MFKUBSTISA-N 418.518 4.655 50 40 HJGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 16960065 CXHVIZYENJQYON-FOWTUZBSSA-N 421.478 4.590 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N(C)C)c(Br)c1 100195009 WCBADTIAJHVIRN-AUWJEWJLSA-N 420.314 4.524 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 107567658 AMFREMWBUSRTTD-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 1096230 RACVQSCCARKTDL-LFIBNONCSA-N 409.283 4.922 50 40 HJGB O=C(N/N=C/c1ccc(OCCCOc2ccccc2Cl)cc1)c1ccccc1 6227499 DHEFQSZYVPBJCF-KOEQRZSOSA-N 408.885 4.952 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc(C#N)c1 9202150 YAYNNTKPZURGOZ-JVWAILMASA-N 413.477 4.608 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1c(-c2ccccc2)noc1C 18193006 XMSPYRRXFFGNTM-ZMOGYAJESA-N 419.872 4.561 50 40 HJGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 38199531 YFZCADDZZSEQFR-XNTDXEJSSA-N 415.287 4.792 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)Cc1ccc(Cl)cc1 100929958 UNJYKZDGQGIVCZ-FOKLQQMPSA-N 412.704 4.710 50 40 HJGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C 408849286 ZCMNJVHMQNVPMZ-MXAYSNPKSA-N 415.449 4.611 50 40 HJGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(Br)cc1 409197395 DKQOECRPUVHTOG-CIAFOILYSA-N 416.344 4.611 50 40 HJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 4741424 HFJQZGVHCYMGDO-QVKFZJNVSA-N 406.869 4.557 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)c(Cl)c1 9288146 OQHFLDKRDNMMLW-UBKPWBPPSA-N 420.488 4.530 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2C)cc1Br 20243997 BBHBVBSZIAZGRC-KGENOOAVSA-N 421.360 4.540 50 40 HJGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408738457 XOAQJBRYUNYYCE-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OC 409314896 HPWWBKWQILJAOO-QFEZKATASA-N 424.884 4.700 50 40 HJGB COc1ccccc1[C@H]1C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CCC2 715081 YYOCKUGSALPGPH-QFIPXVFZSA-N 419.912 4.962 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)cc3)n2)cc1OC 5023110 OZWWPUGTDCUXQT-YVLHZVERSA-N 406.463 4.817 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1 12362188 NAROKBZIQIZHPP-QQXSKIMKSA-N 400.507 4.862 50 40 HJGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 16606631 MFPMKNBLQUDUGD-SFHVURJKSA-N 400.265 4.714 50 40 HJGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408724685 GUKZADRRSOLWOV-BVNRNSLPSA-N 401.850 4.785 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408893203 GCFUJVUGABBFEM-SSDVNMTOSA-N 413.817 4.589 50 40 HJGB O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1cccc(C(F)(F)F)c1 408963077 MGXYNMJETPLFAR-YXSASFKJSA-N 421.600 4.591 50 40 HJGB C=CCn1c(C)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408530120 LEYMAIOEUODKFY-UVHMKAGCSA-N 414.431 4.717 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)cc1 408772755 MXYCRHXULOORCD-VIAWTIDPSA-N 420.520 4.610 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 408812334 MTHWWTKTTKDZEQ-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB Cc1ccc2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1C 899058 BUDWVKDIMYCCHH-GOSISDBHSA-N 407.901 4.956 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 6573666 OPDRNMFRRKASSG-QINSGFPZSA-N 403.394 4.799 50 40 HJGB O=C(N/N=C\c1ccccc1Br)c1cc2cc(Br)ccc2o1 33335374 UAYAWCWWJLDBMY-OCKHKDLRSA-N 422.076 4.722 50 40 HJGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl 33957715 WUKUNYLVUNVNGC-ODCIPOBUSA-N 419.095 4.779 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58917051 BXBYYZPQJWRRQU-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB CCOc1c(I)cc(/C=C(\C#N)c2ccccc2F)cc1OC 108018279 FMISWULBEBGOTJ-MDWZMJQESA-N 423.225 4.902 50 40 HJGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 408539214 FWTCJDJWKAHYME-KQWNVCNZSA-N 413.474 4.717 50 40 HJGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl 2630744 KOJMQZTXTAWQCS-NTCAYCPXSA-N 424.863 4.918 50 40 HJGB O=C(CSCc1ccccc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O 20248250 YPICEVYBPSXVRD-IFRROFPPSA-N 403.718 4.736 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59297466 NMGKNSXGQCSZRF-WOJGMQOQSA-N 417.396 4.859 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 409001684 QIJYZIJDPWTVHN-GXDHUFHOSA-N 422.824 4.852 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1Br 409113805 IXMUHVVABQMGIO-CNRHGSOZSA-N 421.360 4.787 50 40 HJGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 409115597 SGJZIKQVXAIEIU-HYARGMPZSA-N 409.467 4.796 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1436361 JMSGQZALDQSQSU-HXUWFJFHSA-N 405.523 4.698 50 40 HJGB CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 2633808 AWMQPVDSQOJDOV-MDWZMJQESA-N 407.779 4.863 50 40 HJGB CCCCCCOc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O 6050898 QYDWRQALHKYCGW-HYARGMPZSA-N 419.319 4.878 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Br)c2)c1 408745328 LRWNHCIUYDAXHB-SDQBBNPISA-N 421.678 4.752 50 40 HJGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 1453453 LQPNKFQGWXIOLZ-SFQUDFHCSA-N 411.527 4.543 50 40 HJGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1 4741423 HFJQZGVHCYMGDO-YCRPNKLZSA-N 406.869 4.557 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl 16488902 OKEJJXGUBOTQNI-GPMSIDNRSA-N 418.806 4.528 50 40 HJGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1 33378033 UVAZCBXIGKAUFS-WJDWOHSUSA-N 416.262 4.960 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 34771167 NIWSIIHHWDMXOV-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB O=C(Cl)[C@H]1CC(=O)N(c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)C1 45887361 ZXXYSVJQFRJFDA-VIFPVBQESA-N 409.656 4.920 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408745465 MNDDMSCCAHHEMQ-UNOMPAQXSA-N 400.438 4.856 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)c1 409211956 KZOUKSCFOBHHOO-ZSOIEALJSA-N 400.232 4.520 50 40 HJGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1cc2c(ccc3ccccc32)o1 1011006 YWCFOXHTOYJSAX-SSDVNMTOSA-N 409.239 4.818 50 40 HJGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 1059916 AYYRIVSFTUDSGE-DHRITJCHSA-N 418.884 4.639 50 40 HJGB COC(=O)N/N=C/c1cccc(OC)c1OCCCOc1ccc(C(C)(C)C)cc1 4575538 WZQDVUOSRHJLEM-LFVJCYFKSA-N 414.502 4.531 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 20195132 BXRBNKJDOPNZDF-JVWAILMASA-N 416.521 4.892 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(F)cc1 28632512 JDETWMLAMJNLII-YSMPRRRNSA-N 420.440 4.516 50 40 HJGB O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1O 59488970 KWEFBWGEYUQGFV-ICFOKQHNSA-N 412.452 4.927 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)c1C 408746124 RDBALMGXYHVKQJ-SSZFMOIBSA-N 416.433 4.596 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c(OC)c1 408815171 QNVNMHSEWKZATJ-CXUHLZMHSA-N 414.889 4.938 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)C(O)(c1ccccc1)c1ccccc1 408908451 COUBDQAWMATDRV-VFCFBJKWSA-N 406.485 4.740 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OC)c(OCC)c3)cc2c1 409187064 LNIVUGKSAXSRFC-FMCGGJTJSA-N 416.861 4.656 50 40 HJGB Cc1ccc(COc2cccc(/C=N/NC(=O)CC3(C)SCCS3)c2)cc1 409363530 MEXWDRHBNZNALX-HYARGMPZSA-N 400.569 4.610 50 40 HJGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(Br)cc1 4719779 FIAFWZUJPIIHKO-OEAKJJBVSA-N 409.283 4.645 50 40 HJGB O=C(N/N=C/c1cccs1)c1ccc(Br)cc1OCc1ccccc1 12376525 FKXSUXIUCYZEAW-CIAFOILYSA-N 415.312 4.854 50 40 HJGB CCC(=O)N1CCc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)ccc21 40142778 XXEHBLUWSZRGME-UHFFFAOYSA-N 412.704 4.703 50 40 HJGB N#C/C(=C\c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408553230 MZPVNDLNFCWSKP-LFIBNONCSA-N 420.513 4.784 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)c1 408567434 NHZRAUWMXPSSFT-ZDLGFXPLSA-N 414.440 4.960 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1F 408786801 WEMDIPJHHHXIHX-NDENLUEZSA-N 408.473 4.573 50 40 HJGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408794503 JHXSKRWCSQAWQG-UKTHLTGXSA-N 416.662 4.551 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C\CCc1ccccc1)c1ccccc1Cl 17024103 PQJUKGLOHOMWNY-XYGWBWBKSA-N 405.885 4.941 50 40 HJGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 6162446 SAPWEDZGBVXJLM-SFHVURJKSA-N 406.511 4.762 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1Cl 7893954 YHGANHAIPFHMAI-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 19594702 TUFUTRGIQOWHMX-XNTDXEJSSA-N 400.862 4.779 50 40 HJGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)c1 408779292 ULPJEXULPBCAFV-ZDLGFXPLSA-N 413.315 4.768 50 40 HJGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2c1 408794254 HWZQKXMUECOBRQ-GHRIWEEISA-N 402.450 4.888 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccc(F)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408995880 BVFFWUBMVCEZEB-ZMFRSBBQSA-N 420.513 4.809 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Cl)c(Cl)c1 409197542 IITRQCSPRXGPFV-QJKHOBJASA-N 418.324 4.603 50 40 HJGB C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCN(Cc2ccccc2)CC1 409328895 BZMGZOHWRSFOLV-INIZCTEOSA-N 401.963 4.589 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1054150 DSTXOODTVCBVMS-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O3)c(C)s1 4168776 ADGSDSZNNYGRPO-OAHLLOKOSA-N 416.428 4.992 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc12 408589525 LPFINXWPCZLYIV-MFKUBSTISA-N 412.449 4.919 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccccc1 100063882 FOJJICUQYTWXSH-SBMRLFGBSA-N 406.526 4.941 50 40 HJGB C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br 408815708 UCDHMMCCHZRWFE-XMDNHAFTSA-N 403.320 4.616 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OC 408887873 RTYUVLFAJJXAFJ-ZVBGSRNCSA-N 401.677 4.818 50 40 HJGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2cc(Cl)cc(O)c2O)c1 9264879 TWVRNXSFSYACGW-AUEPDCJTSA-N 418.280 4.576 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3OC)c2C)cc1 255935616 SDIBNBIFIJFOIE-RGEXLXHISA-N 401.466 4.657 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1 408793835 GZYZODPJDWQTCO-FOWTUZBSSA-N 417.421 4.971 50 40 HJGB COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(-c1ccccc1)nn2-c1ccccc1 2417859 XEQAKZFSKJPMFD-QFIPXVFZSA-N 420.472 4.766 50 40 HJGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl 34895915 OKEJJXGUBOTQNI-MDZRGWNJSA-N 418.806 4.528 50 40 HJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 59435317 KPZDKIHKJYAQTQ-DHRITJCHSA-N 412.848 4.587 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 408778403 UALVJXSWLQUZLD-GDNBJRDFSA-N 415.287 4.792 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408859535 UXOLHJKNMWBJOU-XKZIYDEJSA-N 414.303 4.805 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccccc1 408966730 NCTQYDHSGMAYSM-RWPZCVJISA-N 410.452 4.773 50 40 HJGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1sc2c(c1C#N)CCCC2 409198613 IPBKHGFKOWOCIQ-ZMOGYAJESA-N 422.579 4.660 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OC 409326012 FORBWTAWPHPOQW-QFEZKATASA-N 424.884 4.700 50 40 HJGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2)s1 1905717 GWYDWUUQWZSHLL-XMHGGMMESA-N 401.491 4.844 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 3262777 FWOFTQXVMXECFM-DEDYPNTBSA-N 421.456 4.933 50 40 HJGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 20247368 MYLSTQGVAHJOLL-YDZHTSKRSA-N 403.463 4.548 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2 60544232 MUAGWGSMMHUQIW-CTPANLQCSA-N 413.477 4.607 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 71411449 IMIBHXROYYMVGK-HNNXBMFYSA-N 401.274 4.786 50 40 HJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1Br 107774233 HXWDGKHQLSAKBM-OJNRTJSBSA-N 415.287 4.878 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)cc2)c1C 408533315 RXMRQVIIOIUTBD-LGJNPRDNSA-N 424.932 4.627 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(Br)c1 408780301 AUKKVMUFSRWLID-SXGWCWSVSA-N 417.278 4.599 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1F 408795659 MDDUUTRXKGHNEZ-LDADJPATSA-N 418.424 4.665 50 40 HJGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccccc1F 408813547 OHAVUWLLAJABES-LCYFTJDESA-N 410.788 4.983 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC 408821366 GQGDXULTBQRGSI-GDNBJRDFSA-N 415.262 4.871 50 40 HJGB N#CC(C#N)=C1C(=O)N(Cc2ccc3ccccc3c2)c2ccc(Br)cc21 1320733 ODAJSYLOWGVMTO-UHFFFAOYSA-N 414.262 4.950 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@]1(C)C(=O)[C@H]2Br 1805578 VBZCTPJZVASQHJ-OAUYIBNBSA-N 418.253 4.803 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1ccc(OC2CCCC2)cc1 8382676 APHLHVCAKIPQDU-FQEVSTJZSA-N 416.456 4.755 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)c1 408599315 SNMHTTKVWWCLDO-MFKUBSTISA-N 404.466 4.795 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1ccc(F)cc1 409055461 IQWQBYYQVLVNPH-PDGQHHTCSA-N 416.408 4.649 50 40 HJGB CCO[Si](CCCNC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)(OCC)OCC 195751036 RZTQENQVQRHAHZ-OTWHNJEPSA-N 403.636 4.612 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 408726909 CUSNPDIDQMXCCI-FSJBWODESA-N 403.265 4.955 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)cc1C 408791958 FSLABBWINVGMRA-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c([N+](=O)[O-])c1 408884158 XWDYMMVDUUEKNO-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OC 409303951 PDOMOKDVKYXLTF-QQXSKIMKSA-N 418.493 4.745 50 40 HJGB Cc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)c1 606422281 JUAGDNJANNSPRO-JOCHJYFZSA-N 418.399 4.711 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1O 13029412 WIPGDUPHSWEFEQ-OVCLIPMQSA-N 402.431 4.695 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1ccc(Cl)cc1Cl 17136167 CGSGUWMZNKRMIX-YVNNLAQVSA-N 407.688 4.905 50 40 HJGB O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1 59499230 KWURSYWWWLDRIM-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1[N+](=O)[O-] 408676161 GIUOELGHJLCVJE-BUVRLJJBSA-N 418.453 4.527 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1C 2313673 IDAXEPRCEPPTRO-LDADJPATSA-N 418.428 4.996 50 40 HJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc3ccccc23)c1C 3375933 AVRMZSSLTUMSTE-KGENOOAVSA-N 415.493 4.757 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@H]1c1cccc(OC2CCCC2)c1 8382686 YFCSNVMIGMOYTO-FQEVSTJZSA-N 416.456 4.755 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(OC)c2)c1 408746643 UTYUUAWHVRJCBA-DHDCSXOGSA-N 400.862 4.692 50 40 HJGB O=C(NN(C(=O)c1ccccc1F)c1nc2ccccc2s1)c1ccccc1F 867351 POTHMKAWESZXFT-UHFFFAOYSA-N 409.417 4.566 50 40 HJGB O=C(NN=C1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247205 UJXLOXNWOYIWOT-HSZRJFAPSA-N 407.539 4.511 50 40 HJGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 20247402 ZWIPPPWDAQSHDR-BUVRLJJBSA-N 417.490 4.938 50 40 HJGB N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31820505 HKSAWVTYSXUVJS-QFIPXVFZSA-N 416.431 4.751 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)c2C)c(C)c1 408869596 SNYTVHARVDJBSM-VULFUBBASA-N 413.525 4.739 50 40 HJGB Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408950645 UBHHONLJFXINNW-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(Br)cc1 409127238 GXKDVIDEIQBYKP-BUVRLJJBSA-N 424.342 4.940 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(Sc3cccc4cccnc34)o2)cc1 1055930 POLGJWAKPLSUKU-ZVHZXABRSA-N 403.463 4.752 50 40 HJGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCCOc1ccc(Cl)c(C)c1 4545198 PTXMUEZJTSXCQD-OEAKJJBVSA-N 420.893 4.585 50 40 HJGB CCC/C(=N/NC(=O)C(O)(c1ccccc1C)c1ccccc1C)c1ccccc1 34105952 DYRPUMOBEPNHNI-PNHLSOANSA-N 400.522 4.860 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Cl 408746053 QLULHBYVSJQBIS-DHDCSXOGSA-N 415.276 4.950 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c(Cl)nc2c1 408859828 TXPCPICMMULJRG-XMTZNVEYSA-N 413.930 4.669 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408894003 HYWJANFCGKPSDP-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 409049549 WITCRVAFHMWWOV-XMHGGMMESA-N 408.461 4.953 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2c1 409186631 FTLVDNVEUYZAKL-QRVIBDJDSA-N 419.393 4.764 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 409369538 CODLBCJQQZLVSQ-ZROIWOOFSA-N 410.817 4.604 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1 2807424 JICHCODEDCOMKR-KPKJPENVSA-N 410.779 4.922 50 40 HJGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1cc(C)ccc1C 4588150 XRTSVUCCKPYBCF-ZVHZXABRSA-N 418.921 4.673 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1 6181451 DMRIQWYHHLEHRO-XDHOZWIPSA-N 404.491 4.559 50 40 HJGB N#CC1=C(SCc2ccccc2)N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc2c(c1)OCO2 6499195 ULRKMVSWNYQFTE-XZOQPEGZSA-N 416.502 4.991 50 40 HJGB CCc1cc(Br)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12 20133388 OPAQAWNZXJUHOD-LLVKDONJSA-N 420.170 4.979 50 40 HJGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2)cc1 100062719 UOHZWDWYMLNWOF-IWIPYMOSSA-N 423.310 4.721 50 40 HJGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccn1-c1cc(Cl)cc(Cl)c1 408753748 CDUOVZHUTNVJIY-PGLVWIQMSA-N 416.308 4.748 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1 409187448 QMFHFAUMBZULCY-UUYOSTAYSA-N 416.886 4.622 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OC(C)C 409221126 LFEWRYZQMPWYIP-UNOMPAQXSA-N 412.917 4.792 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409355205 CCKYOVDAJXYNCM-YSURURNPSA-N 406.244 4.955 50 40 HJGB CCOC(=O)c1c(NC(=O)CCl)sc(Br)c1-c1ccccc1 3886262 SXJSGJDYEPMVJO-UHFFFAOYSA-N 402.697 4.532 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)cc1 33370465 VCOQANZUMMRDSI-RGEXLXHISA-N 400.434 4.977 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cccc(C)c23)cc(Br)c1O 40139878 HEZSNEWEPNQMBZ-AWNIVKPZSA-N 411.255 4.743 50 40 HJGB Cc1c(Br)c(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1 408844551 DPDBCYHEYVENKB-OEAKJJBVSA-N 410.315 4.549 50 40 HJGB COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408853753 RESIGDPUDFXWRQ-UKWGHVSLSA-N 407.651 4.621 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 96663168 PNUBIPOJBDXGON-HMAPJEAMSA-N 419.488 4.848 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409364307 XFBJVSHKGQCJTD-KBKYJPHKSA-N 405.351 4.667 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 4646739 WBORKBCEWXYDQS-UVBVLWFHSA-N 403.507 4.644 50 40 HJGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC=C)cc1C 16713683 UMLRPYIQCWYLHQ-CAPFRKAQSA-N 424.504 4.622 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408757152 XPGYKXGFCPQFTO-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OC 409186981 KLRABWFURJEHPU-MYYYXRDXSA-N 422.481 4.731 50 40 HJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1 409208499 GIXZKJFGIORRNL-AQTBWJFISA-N 417.396 4.816 50 40 HJGB COc1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 4794814 VCUCPYHYJRCGRV-NTCAYCPXSA-N 401.447 4.902 50 40 HJGB CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 6454137 IADXCGJRSFASNB-KRWDZBQOSA-N 411.508 4.589 50 40 HJGB Cc1cc(OCCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)ccc1Cl 41078028 RLARPVNDPOFYQQ-WGOQTCKBSA-N 423.900 4.655 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 408744869 NUBRNCSVDPVAEV-NDENLUEZSA-N 412.445 4.848 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408893065 FBEZKEKMQDYIIY-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 7210494 PIIVCNWBKFGTJH-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1cccs1 17264368 LPYYXSQEAKSUFJ-LSFURLLWSA-N 403.813 4.555 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)c1 408724945 NEMGBAMGCDXKSX-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1 408876183 NJYNHVKZZQLMGD-RCCKNPSSSA-N 414.436 4.749 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)cc1 408876463 LLOBBVNQWWDOBB-DEDYPNTBSA-N 416.452 4.979 50 40 HJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1 657623 OCWHGFWNJZZMRV-ZMOGYAJESA-N 420.812 4.676 50 40 HJGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccccc1 857440 JCOSHRZYANNTFF-JOCHJYFZSA-N 400.478 4.716 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OCC 2056133 OXUNBCHFMGLVIP-YDZHTSKRSA-N 420.962 4.911 50 40 HJGB CCOc1ccc(Cl)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 2175974 JLDYSZDKXRSHGS-ZVBGSRNCSA-N 401.677 4.575 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)OCc2cn3cc(Cl)ccc3n2)c(C)n1CC(C)C 7942714 XZMAPUAHZULULN-QGMBQPNBSA-N 410.905 4.712 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)c(C)c1 8382723 XHGJNARVAGMFEN-HXUWFJFHSA-N 400.482 4.699 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1cccc(C(=O)O)c1 33631434 NNOLZHYAUMBIGB-ODLFYWEKSA-N 416.408 4.649 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc2ccccc12 96585846 LBDFFCVYTXCXCJ-BKUYFWCQSA-N 400.478 4.859 50 40 HJGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2cc3ccccc3cc21 102441979 XRZQIPZRFLYILV-ZBVBGGFBSA-N 418.448 4.687 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(OC)c3)c2C)c1 223171968 AXQRFYRERBQNOW-UNOMPAQXSA-N 401.466 4.657 50 40 HJGB CCN(CC)C(=O)/C(C#N)=C\c1c(Br)c(C)n(-c2ccccc2)c1C 408854166 YXKMSBDDRAVRNI-VBKFSLOCSA-N 400.320 4.632 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1Cc1ccccc1 408947686 CUKCHNVNQNZIEQ-IWIPYMOSSA-N 422.532 4.900 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)cc3OC)c2C)cc1 409187283 OJLISXZNVMIEAJ-MFKUBSTISA-N 405.498 4.574 50 40 HJGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 3082105 KSTGLQAFUTWIIO-YPZZKDGISA-N 416.102 4.674 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1cccc(Br)c1 9041053 MAUWSRSWSKSXBL-JAIQZWGSSA-N 420.357 4.691 50 40 HJGB Cc1ccc(NCC(=O)N/N=C\c2cc(Cc3ccccc3Cl)ccc2O)cc1 39978061 IEELBCUMEULHPU-WGARJPEWSA-N 407.901 4.507 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1Cl 59333614 RVDCQYHKOFNCGW-NVNXTCNLSA-N 405.281 4.576 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)c2C)c(C)c1 408780495 ZUXJQBYGZPZIKX-LGJNPRDNSA-N 413.525 4.739 50 40 HJGB CCCCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 3085318 GCXAXLHSGOHEJJ-OEAKJJBVSA-N 409.511 4.804 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)o1 408676089 FENPEZUUZPPVDD-IWIPYMOSSA-N 418.453 4.527 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 408825560 DDWONONIHNKRNU-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OCC 409179711 UHGCIGITKCQMFZ-WGOQTCKBSA-N 420.896 4.597 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)NCCCc1ccccc1 409249547 USRSBPJELYKILB-UQQQWYQISA-N 421.500 4.793 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1COc2ccccc2O1 2344488 XPYNFPNVVDSRQH-LCLGRWFKSA-N 417.248 4.544 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 3167536 VVEMATQKJRUQSD-FOWTUZBSSA-N 422.282 4.772 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OC(C)=O 12140000 OYDCQDURDIYDFQ-CXUHLZMHSA-N 421.434 4.716 50 40 HJGB O=C([C@H](Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19680858 DPQZTGRTPFXBTC-HSZRJFAPSA-N 404.941 4.900 50 40 HJGB C=CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 33669050 UIHZJGQXAYGDOU-NVNXTCNLSA-N 415.243 4.995 50 40 HJGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59166066 CQWXJOMCDXZXIP-IKMPRTQCSA-N 409.467 4.627 50 40 HJGB CC/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 59437008 AKIYAZIGKJRMIC-OQKWZONESA-N 406.935 4.770 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1C#N 408540943 DABKUSBLYNTWDS-UUYOSTAYSA-N 410.429 4.908 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OC 408726191 RHZXJPWXDQXCER-NVNXTCNLSA-N 415.287 4.629 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1NC(=O)c1ccccc1 409215586 BTYMKWDBFDFGJF-UYRXBGFRSA-N 418.884 4.688 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1F 409230544 FHZYWRDGSJEUHR-DICXZTSXSA-N 424.447 4.635 50 40 HJGB C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(NC(=O)c2ccco2)cc1 654506 YLBRXHLLVWSKLU-WPWMEQJKSA-N 411.461 4.768 50 40 HJGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4291952 GRVPDOBAOKZQCU-SFQUDFHCSA-N 410.389 4.949 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Cl)c1O 59335838 YELMSEICGOBJAM-GHXNOFRVSA-N 421.678 4.671 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1Br 408757050 WEGSDDVWCJRILR-GDNBJRDFSA-N 413.271 4.596 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409221023 JKHGBBZDJXFFGO-JVWAILMASA-N 415.468 4.530 50 40 HJGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCCc1ccccc1 409245209 PAMQFFFDZLLJAL-OBGWFSINSA-N 401.422 4.511 50 40 HJGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1 647996 GTJNQYAIPNFPQR-OAQYLSRUSA-N 420.900 4.786 50 40 HJGB O=C(CCCl)Nc1cccc(CCC(=O)c2ccccc2NC(=O)CCCl)c1 1614066 WDSKSNCDAPZQQZ-UHFFFAOYSA-N 421.324 4.637 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216252 IKCYVEASUFYRDG-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 118912437 SMJCXQBAPTXOIC-TYINLYHXSA-N 409.364 4.823 50 40 HJGB COc1ccc(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)cc1 4599250 LAGZONZFRUMRNZ-XIEYBQDHSA-N 419.481 4.699 50 40 HJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1 4735306 AMFVMCFOAFKPIS-OEAKJJBVSA-N 411.299 4.694 50 40 HJGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccc2ccccc12 5289331 SKUMYUCQZDHAOP-MZJWZYIUSA-N 413.399 4.993 50 40 HJGB CC/C(=N\NC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc(OC)c(OC)c1 5658909 LCGARNAPPJTJAB-NJNXFGOHSA-N 405.498 4.655 50 40 HJGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1cccs1 9310967 FCUZEAHHXFXTRS-MRXNPFEDSA-N 419.531 4.612 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 33583697 JQDRCNFVESHYTB-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408907583 BNYNBOASCNIJHU-DHRITJCHSA-N 412.848 4.587 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCC 409076185 ZEFJTVATMAZANF-XMHGGMMESA-N 406.482 4.767 50 40 HJGB O=C(N/N=C/c1ccccc1OCCCOc1ccccc1Cl)c1ccccc1 4592253 KVQYLEOVXSGJQM-KOEQRZSOSA-N 408.885 4.952 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cccc23)c1 6302704 RSPPWVYXTVHXQK-CVKSISIWSA-N 410.477 4.866 50 40 HJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1O 408568046 HUFLFFJAXVZJDF-WZUFQYTHSA-N 402.223 4.633 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408779645 ZWACDWYRNBFXPF-ATVHPVEESA-N 400.394 4.636 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(F)cc1 408782573 KKAKPTPYWLGFMM-NDENLUEZSA-N 408.473 4.573 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408799403 YZDQGXPMPNSCJP-KPKJPENVSA-N 421.678 4.665 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCC 408868233 ONLMLVBDUCBOOS-CGSPTYMOSA-N 423.351 4.523 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c1 408883012 SPDSOFBGWFXPMB-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(-c2cccc(F)c2)o1 409010841 LVBVFTCFISLRHX-RMORIDSASA-N 407.228 4.922 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OC 409311442 GBFYWRKDVXUPDC-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1c(F)c(F)c(F)c(F)c1F 9597067 AEJNSYFNNVACSV-YPXUMCKCSA-N 420.337 4.578 50 40 HJGB COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CCl)cc2s1 59489691 JKNUUGVKQRTJPB-UHFFFAOYSA-N 423.903 4.683 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(C)c1 408792267 ACWMHJHPWHMHCD-MKMNVTDBSA-N 419.264 4.619 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OC 409359855 CEYSUYQTFJLHRD-DHDCSXOGSA-N 405.235 4.763 50 40 HJGB CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 1106684 GTKGFGOFFBWDTO-OAHLLOKOSA-N 407.333 4.524 50 40 HJGB CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc12 36129969 CKNOEXZKVKZACB-QRVIBDJDSA-N 403.394 4.657 50 40 HJGB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(=O)c1ccncc1 245231278 AUKSBJWTRCVBGS-OVKLHBHHSA-N 409.574 4.571 50 40 HJGB COc1cc(N2CCCCC2)c(OC)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408566529 AINGIVXKGYJDQT-YBEGLDIGSA-N 406.461 4.774 50 40 HJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1 408590881 QZEWPMDHMYTVLE-WPWMEQJKSA-N 411.505 4.949 50 40 HJGB CCCCCCc1cc(/C=N/NC(=O)c2ccc3ccccc3c2O)c(O)cc1O 3073810 OHYQAAZNHRLMQJ-MFKUBSTISA-N 406.482 4.843 50 40 HJGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccs4)ccc32)cc1 38682276 VZLWINIGSXICOH-FQEVSTJZSA-N 420.515 4.907 50 40 HJGB CC(C)(C)C(=O)/C(C#N)=N\N=P(c1ccccc1)(c1ccccc1)c1ccccc1 97950048 AEUYIQQSCASXIZ-VYIQYICTSA-N 413.461 4.659 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1)c1ccc(Cl)cc1Cl 408722819 NMYVERORCSCCAR-ZVBGSRNCSA-N 420.208 4.631 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccco1 409222812 DAZJTSYFISQAOF-JJFYIABZSA-N 403.221 4.570 50 40 HJGB Cc1cccc(OCCCOc2ccccc2/C=N/NC(=O)c2ccccc2)c1C 4550690 BLBFJAMJMBRGJM-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4953668 RBRPLZFSVLVAJZ-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB CC(C)Cn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc21 9467810 WTMOQDUZOKIIME-UHFFFAOYSA-N 403.511 4.626 50 40 HJGB Cc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 19954815 SNSMIGMMRVHHDE-UHFFFAOYSA-N 421.607 4.538 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccccc2F)cc1 59334470 IUBMGXJFRTYPEM-STZFKDTASA-N 417.484 4.807 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Cl)c2)c1 408744419 FODOKPUGMMCLOD-ZSOIEALJSA-N 416.264 4.840 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1 408948777 GQTHQYAJPSQKBA-STZFKDTASA-N 423.472 4.896 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)cc1 408949284 ALWNNVNUVHLANC-XFFZJAGNSA-N 424.092 4.913 50 40 HJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2c1 408961503 CNSOKKBTHVUEON-BRJLIKDPSA-N 402.372 4.640 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OC 409216093 HYYZXZIVZNPVPY-ZSOIEALJSA-N 403.232 4.829 50 40 HJGB O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cc(Cl)ccc1Cl 6785302 HTNRJENPTAOZGS-UHFFFAOYSA-N 413.304 4.977 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1C 408567352 MAHPQKYMBQFKOB-FSJBWODESA-N 411.845 4.818 50 40 HJGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 408600014 QVQUTCPBZJUZCG-CVKSISIWSA-N 419.525 4.574 50 40 HJGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC 408811930 OTGZPOUUCVKRFI-XNTDXEJSSA-N 414.845 4.738 50 40 HJGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 804201 FFLYFQHOQHYOSB-INIZCTEOSA-N 407.297 4.843 50 40 HJGB O=C(COC(=O)c1cc2ccccc2cc1O)NN(c1ccccc1)c1ccccc1 3268791 AWBYDKMJQSPSMN-UHFFFAOYSA-N 412.445 4.572 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)c3ccccc3n2)cc1 5006869 UYYLRMFNUMDJMK-BUVRLJJBSA-N 406.555 4.632 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1cccc(C)c1 59534409 IMAVLLDBCAUQOT-UDWIEESQSA-N 418.518 4.868 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1C 408959746 FBPNFLFRLZEEOC-ZVHZXABRSA-N 404.470 4.637 50 40 HJGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409022731 QWQSMXZPTVCBRZ-KSEXSDGBSA-N 417.248 4.524 50 40 HJGB CCCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 6324723 UVKLVIGISPVRQR-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB NNC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302848 CBQLSOIENIRCIM-UHFFFAOYSA-N 415.331 4.780 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408734909 LIYRORHSSWBDSQ-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C)c2)cc1 408817267 VPXBOHOOPGWYNM-HAHDFKILSA-N 412.489 4.806 50 40 HJGB Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409043215 YFUMSECOXZMDRN-BRJLIKDPSA-N 414.292 4.919 50 40 HJGB Cc1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2 4854870 PCNNYBRPMHVQJI-VFTKVEQISA-N 418.902 4.654 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 408743213 FFNJNIPRFLMOLY-UVTDQMKNSA-N 418.365 4.617 50 40 HJGB COc1ccc(O)c(/C=C/C(C)=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 5275155 CKEXTQXKLYQGEI-ISGJFCLRSA-N 404.466 4.527 50 40 HJGB CC(C)(C)c1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(C(F)(F)F)cn2)cc1 6184447 DKHZUAVMFYSBLA-VBKFSLOCSA-N 409.433 4.649 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 32579184 VBERTVPIDOONNF-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(Br)cc1 33345760 RVULRFTVEHUYDI-UCQKPKSFSA-N 409.283 4.792 50 40 HJGB N#C/C(=C\c1csc(Br)c1)C(=O)Nc1ccccc1Br 44028538 VJAPJXBDIICRSR-BJMVGYQFSA-N 412.106 4.819 50 40 HJGB N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1ccccc1Br 44028570 CUVBLIVULCFXBS-CLFYSBASSA-N 412.106 4.819 50 40 HJGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 408708991 WAVYIYDLIHNYCU-AFUMVMLFSA-N 420.900 4.789 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 408880309 HFUFWMSGCFQVCH-ZVBGSRNCSA-N 401.677 4.818 50 40 HJGB CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 408947595 CPOFFEDFFYJUOO-HKWRFOASSA-N 409.489 4.986 50 40 HJGB N#CC1=C(SCc2ccccc2)N=C2CCCC(=O)[C@H]2[C@H]1c1ccc2c(c1)OCO2 1252678 ULRKMVSWNYQFTE-GOTSBHOMSA-N 416.502 4.991 50 40 HJGB O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1nc(-c2cccc(O)c2)cs1 1404974 NIKIIAAYMXJKDJ-UHFFFAOYSA-N 410.886 4.546 50 40 HJGB Cn1c2ccccc2c2ccc([C@@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc21 2759704 DZJKDBKSYUYFRM-GBXCKJPGSA-N 403.489 4.925 50 40 HJGB C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 4155457 ZESPYLZIXJMNCS-IMRQLAEWSA-N 402.538 4.631 50 40 HJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1 408527552 GAESHARITYBSOO-UVHMKAGCSA-N 415.415 4.820 50 40 HJGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(N2CCCCC2)cc1 408960891 PLVWGKLBACTLGZ-QRVIBDJDSA-N 406.313 4.513 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1O 9907206 RSNBSPLVBIDFBW-WUXMJOGZSA-N 421.678 4.671 50 40 HJGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OC/C=C/Cl)cc1 30835559 GSUQJFRZQIDKLY-VZSWXNFOSA-N 409.338 4.855 50 40 HJGB CC(C)c1ccc(OCC(=O)N/N=C\c2cccc(OC(=O)c3ccccc3)c2)cc1 31885692 MXBGTYJAXLURBO-QQXSKIMKSA-N 416.477 4.558 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Br)c([N+](=O)[O-])c2)c(C)c1 211536883 MTBWNDAABKQNSA-ZSOIEALJSA-N 400.232 4.520 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C 223584270 ISXLNWCEELWBMQ-JXYIUTTOSA-N 407.558 4.809 50 40 HJGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1 409125665 DRXCWMFZDWJNNR-FSJBWODESA-N 424.353 4.725 50 40 HJGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc(Cl)ccc2o1 409231670 FGODMUHEOUGRPG-ZVHZXABRSA-N 411.889 4.849 50 40 HJGB C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCCCCC)cc2)c1O 5245207 OBBWATNUHWPGNQ-UPMNJHNBSA-N 410.514 4.607 50 40 HJGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 38682011 CXHIJBBCNNHSDH-JOCHJYFZSA-N 414.486 4.846 50 40 HJGB c1ccc(P(=Nc2nc3ccccc3s2)(Nc2nc[nH]n2)c2ccccc2)cc1 98008928 MJRCLJGLCDKWET-UHFFFAOYSA-N 416.450 4.925 50 40 HJGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C 208302838 CTCZLTZYQSSRPZ-FRQJIFLKSA-N 413.949 4.981 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC)c(Br)c2)cc1 408742891 CMYQSYUMWFYLCY-PTNGSMBKSA-N 415.287 4.792 50 40 HJGB COc1cccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)c1 664658 FVOHRCGXBFZMNW-LJQANCHMSA-N 400.482 4.601 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC 59432695 WGSGYGURMFAJRM-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c(C)c1 408784718 WPTKYHULOBHTJZ-PDGQHHTCSA-N 414.421 4.945 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 408879003 CEGJQXBJEYRTKV-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)[C@H](O)c1ccccc1 409357348 QAGWOOWOYZNZCT-SIBVSACJSA-N 417.896 4.527 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1 408874143 ZCLFFEFGZNJTHZ-RCCKNPSSSA-N 414.436 4.749 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1 408956679 XXNBLJQXUBTKNK-PXLXIMEGSA-N 408.505 4.841 50 40 HJGB CC1(CI)COC(c2ccccc2)(C2CCCCC2)OC1 1671121 XTYMWLCXUQEYCT-UHFFFAOYSA-N 400.300 4.908 50 40 HJGB C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 4402132 HSHFGIPJTJXBJX-WDMWBOBFSA-N 413.521 4.656 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N/N=C/c1ccccc1Cl 26841361 HJFGEQFAPWRNDI-GKNBENSOSA-N 420.812 4.565 50 40 HJGB N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 33471711 KYRFQAYIUYITQD-OQLLNIDSSA-N 404.253 4.802 50 40 HJGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1I 58601922 ITJHQWUHSZYUHU-LCYFTJDESA-N 422.653 4.799 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 408541982 IOCDGFQAOPJQJO-NDENLUEZSA-N 400.390 4.936 50 40 HJGB Cc1cc(NC(=O)N/N=C\c2cccc(C(F)(F)F)c2)ccc1Br 408904174 FWUMKQDHRVDVHR-NKVSQWTQSA-N 400.198 4.932 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccccc1Cl 16488897 OKEJJXGUBOTQNI-TXPKVOOTSA-N 418.806 4.528 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 20764175 SZQZBLJSXMXKNL-JFLMPSFJSA-N 415.468 4.991 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1 408589343 LKXNBUBQDIMOCZ-AFUMVMLFSA-N 409.917 4.757 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1 408799642 ZTJGPRNLSYDQEP-RCCKNPSSSA-N 412.445 4.598 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cccc1[N+](=O)[O-] 408881792 KPEYCTOZQFSPQI-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)c1 2284679 LICUNSVXRPEOBB-FOWTUZBSSA-N 401.447 4.902 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccccc1Cl 5916077 SGMLUUOBNILXHW-DHRITJCHSA-N 412.848 4.831 50 40 HJGB N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccc2ccccc12 9088803 NQBGPARKXSHFGG-FQEVSTJZSA-N 413.502 4.550 50 40 HJGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 15012562 RBWKVKBKANFBLS-CNEDASOKSA-N 419.912 4.545 50 40 HJGB COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1 408888517 WLFBHAIYKQUHMM-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c(OCC)c1 409391288 IXFGDCQRBNMSEF-ITYLOYPMSA-N 402.494 4.766 50 40 HJGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 2750249 QKKUMWPJMCSYKD-UFWORHAWSA-N 422.622 4.521 50 40 HJGB O=C(CCl)Nc1ccc(Cc2ccc(NC(=O)CCl)c(Cl)c2)cc1Cl 3116490 ZGLMGHWNGULQRW-UHFFFAOYSA-N 420.123 4.939 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)OCO2 6602657 TVLXKDIQCWGXGQ-LSFURLLWSA-N 403.221 4.746 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(Br)cc1 18173422 UWTYSEVUGIKUJZ-GZTJUZNOSA-N 424.298 4.673 50 40 HJGB CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(OC)c1 113834720 MSQODCNAKVZILO-YBEGLDIGSA-N 416.271 4.507 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)o1 252485608 HAEHXKJBJRIMTD-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB N#C/C(=C\c1cc2c(cc1Br)OCO2)Sc1nc2ccccc2[nH]1 408598692 IOFPMRYYYRUHEI-VZUCSPMQSA-N 400.257 4.711 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1C 408787810 GOXAQACWAWGPKF-MKMNVTDBSA-N 419.264 4.619 50 40 HJGB COc1cc(C(=O)N/N=C(C)/C=C/[C@H]2C(C)=CCCC2(C)C)cc(OC)c1OC 5861988 YWSFLRAAFFAQDA-RMOOUQGOSA-N 400.519 4.757 50 40 HJGB COc1ccc([N+](=O)[O-])cc1/N=C\c1ccc(N(CCCl)CCCl)cc1C 104070544 PGUYSZZOOPCOPM-XKZIYDEJSA-N 410.301 4.946 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408755533 OHACZRDWJRUZMK-SSDVNMTOSA-N 413.817 4.589 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408805399 AVJQTYKNNIBRPE-CLXYIWAZSA-N 413.315 4.850 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(C#N)cc1 409223877 GIVBLBXKXYIRRP-JLPGSUDCSA-N 408.505 4.622 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 1188960 DWWDLYIIYJBHHP-PTNGSMBKSA-N 403.394 4.718 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 26123787 RXJKPTOXPISMDD-YZSQISJMSA-N 418.493 4.827 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NCc1ccccc1 33466961 DNXSWBFBARHKGP-GDNBJRDFSA-N 407.813 4.732 50 40 HJGB COc1ccc(C(=O)C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104092544 IEVUZPRVUDMJGG-UHFFFAOYSA-N 412.469 4.604 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(F)cc2)cc1 207155188 ZFBVNBPNSAVWJL-STZFKDTASA-N 416.452 4.637 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223547262 LPLQQPFUMZBYSV-WTTSBOSASA-N 423.557 4.725 50 40 HJGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 409062766 ANJACZJFIXFSBV-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CI)[C@H]1CCC2=O 627260142 WHAGMEOCNIRULZ-RTYCURFASA-N 412.311 4.503 50 40 HJGB Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3068016 KZNIXHGNZPEIFR-LSHDLFTRSA-N 412.704 4.824 50 40 HJGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N\NC(=O)Cc3cccs3)cc2)cc1 30802658 RTUJYIYVGQFNIB-XYGWBWBKSA-N 420.534 4.958 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1 59297004 FZRYAJFHEPYFDR-XNTDXEJSSA-N 415.287 4.791 50 40 HJGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12 253501166 AUKSBJWTRCVBGS-ZVYNGTGLSA-N 409.574 4.571 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1N1CCCC1 408851900 HDIZCUCHHGUZKQ-ONUIUJJFSA-N 400.526 4.767 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408923604 GUBTVETZDYCBOS-OQLLNIDSSA-N 404.235 4.637 50 40 HJGB Cc1ccc2cc(/C=N/NC(=O)c3ccc(Br)cc3)c(Cl)nc2c1 3125030 OIGUQUAECDNVNH-UFFVCSGVSA-N 402.679 4.723 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1 4263925 DNUQFUQVMSDFBH-CXUHLZMHSA-N 408.479 4.909 50 40 HJGB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NNc1ccccc1 13955566 WZCADGWIJPNHMI-VWLOTQADSA-N 424.504 4.555 50 40 HJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 15228784 WPXKORCWLNYCNY-HBVAFETKSA-N 412.873 4.900 50 40 HJGB N#C/C(=C\c1ccc(F)c(Br)c1)c1nc(O)c2ccc(Cl)cc2n1 40073249 HIKWARDWICFENI-BJMVGYQFSA-N 404.626 4.955 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 408737498 BSBJNDSUEFMZSZ-FSJBWODESA-N 414.278 4.760 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Cl)c1O)c1ccccc1 409228736 DKLIDHCSPCGKAC-LLUUXILJSA-N 405.679 4.592 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 59501725 BASOTWQSFZPQAK-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408567957 QWMBXZLZWSFLBA-SDQBBNPISA-N 416.250 4.936 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408802928 JGNRHQOSDJTFDW-VVBXCHJUSA-N 400.320 4.678 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1ccccc1C 35419980 NSPOLZITTDNRPB-VULFUBBASA-N 423.900 4.785 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 59282154 YSNYYCVPHAXTON-VOMPUTFMSA-N 419.912 4.545 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC#N 408982427 GYFCPIYYSSDEMY-AUWJEWJLSA-N 416.264 4.758 50 40 HJGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1 2312179 GWMFXJVNIJOPFE-FQEVSTJZSA-N 419.550 4.829 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 12362709 RCKWFNJQZHICRV-XPWNEEOKSA-N 407.558 4.790 50 40 HJGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1 17093569 NDJSQCKKZXWSOY-OGLMXYFKSA-N 423.472 4.952 50 40 HJGB Cc1c(/C=N/NC(=O)COc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 408529955 KOVISXXQYGYCQA-JFLMPSFJSA-N 415.468 4.666 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1 409050120 ZAOUBEKWHUKPSG-MOSHPQCFSA-N 412.445 4.818 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409237527 XGDXUAUGDDBEMD-UHVIJJLKSA-N 417.421 4.648 50 40 HJGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl 409318537 WLCYBPLYLRLXBY-FMCGGJTJSA-N 423.296 4.729 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)ccc1OC 409320273 CMWBADYSVNPKOS-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 4676708 XBCJAJLZVOWAHR-PUMYGXPMSA-N 408.885 4.535 50 40 HJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(C)cc1 4691449 FLZPQUAKYVHPOU-ZXVVBBHZSA-N 415.493 4.709 50 40 HJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1 20754516 MXABHMXTXXNOPV-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB O=C(Cl)[C@@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 45887686 GUNSGWBNMPTVOT-SNVBAGLBSA-N 409.656 4.920 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 409075840 URKQHDDALGCDHP-QGOAFFKASA-N 406.869 4.635 50 40 HJGB CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 870411 PXVCEKHKKVVJQX-LJQANCHMSA-N 423.900 4.738 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4778803 NLPJOBRHDXPQLN-DNPFKWNUSA-N 421.453 4.897 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 6407593 SCKSKOXUTSZYHT-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c2[C@@H]1c1ccc(OC2CCCC2)cc1 8382677 APHLHVCAKIPQDU-HXUWFJFHSA-N 416.456 4.755 50 40 HJGB CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 9008234 XZIXFZAHGAQNGL-IBGZPJMESA-N 420.900 4.984 50 40 HJGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccco1 19833217 YHJWNQTXPUGIAB-FMCGGJTJSA-N 424.913 4.573 50 40 HJGB N#C/C(C(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 409391464 ZKOLJZHALKTDLV-ZBJSNUHESA-N 413.864 4.803 50 40 HJGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc(C(=O)O)c1 6882496 LJEZCJTWZMQTAN-ODLFYWEKSA-N 416.408 4.649 50 40 HJGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408747109 ZPESJSUZTRKRNB-UVTDQMKNSA-N 415.674 4.660 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCCC2)c(F)c1 409101783 RITSUHLQUROOTQ-PKAZHMFMSA-N 417.484 4.622 50 40 HJGB C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CI)[C@H]1CCC2=O 627260134 WHAGMEOCNIRULZ-BQUOXIOCSA-N 412.311 4.503 50 40 HJGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1 20247405 XKCRTCKEDNZGMN-BUVRLJJBSA-N 417.490 4.938 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1cccc2ccccc12 59425691 ZCMAMPZSMBFIKY-MFKUBSTISA-N 400.434 4.784 50 40 HJGB COc1cc(/C=N/NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)ccc1O 100490028 UIPLLABJHFBIQN-ZOGDFABISA-N 418.537 4.698 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1 216043989 SFEDIXGQRQGCMU-PKAZHMFMSA-N 416.521 4.974 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 408879841 FSDYGDXRTXPEMU-ZVBGSRNCSA-N 401.677 4.818 50 40 HJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 2279161 BJZGAOYYCCLLRM-CCVNUDIWSA-N 423.394 4.920 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Br)c3)C2)[C@H]1c1ccccc1 2323005 VRYSDWRFYZMGQX-QRWLVFNGSA-N 421.294 4.658 50 40 HJGB CCCCCc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 3169166 TZJVXFKFILRIDW-HYARGMPZSA-N 403.320 4.711 50 40 HJGB COc1ccc(OC)c([C@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1 6781473 YNZLOVKLANRPRD-QXATTWAWSA-N 416.525 4.570 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1 20528781 SHBLQSUTSVHBEB-XMQQHFNTSA-N 419.475 4.834 50 40 HJGB COc1cccc(C(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 33871243 FZWVROWNBXZWST-WGARJPEWSA-N 401.441 4.601 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OC 59201339 RILFJORCQPTGMS-NVNXTCNLSA-N 415.287 4.629 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408568740 WNXVCFSJYPOXQE-BUVRLJJBSA-N 405.454 4.845 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4c(c3)OCO4)c2C)cc1Cl 408591911 WHDSPRJWYRVKHG-BHGWPJFGSA-N 409.873 4.549 50 40 HJGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C 408821855 KWUVMZBXWQDMRD-PDGQHHTCSA-N 417.440 4.786 50 40 HJGB O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1cc2cc(Br)ccc2o1 408933643 BSMDWMXXQSHHET-XKZIYDEJSA-N 412.287 4.559 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 409185264 VGCISDBXQVHKIW-RGVLZGJSSA-N 401.831 4.756 50 40 HJGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1 1805717 DBMIGLIFNKENFI-SFQUDFHCSA-N 412.511 4.876 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 2119560 YAMTZUZWURNHAX-RQZCQDPDSA-N 408.417 4.653 50 40 HJGB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5434441 DCVGANSDLNPXGO-LIASLNQGSA-N 406.950 4.627 50 40 HJGB in-vitro COc1ccc(Br)cc1C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 8812945 BERVLNGRNOVCJH-SSDVNMTOSA-N 414.303 4.757 50 40 HJGB C=CCSC1=C(C#N)[C@H](c2ccncc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9968574 BSKLWJZWTGBOHA-FQEVSTJZSA-N 422.941 4.989 50 40 HJGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc2ccccc12 23723915 PWVFAUCPOPQZPP-OVCLIPMQSA-N 421.250 4.877 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1 71822756 OLCQFSXAQPAOJJ-PDGQHHTCSA-N 410.901 4.893 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2nc(-c3ccccc3)oc2Cl)c1 3074910 JROXABCSWUXDQK-WYMPLXKRSA-N 411.889 4.956 50 40 HJGB COc1cccc2c(SCC(=O)N/N=C/c3c(C)[nH]c4ccccc34)cc(C)nc12 5007022 PZAHGCQQALLVSQ-WYMPLXKRSA-N 418.522 4.584 50 40 HJGB C/C(CCc1ccccc1)=N/NC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 6373682 DJQUGBPWUFJUPO-OYKKKHCWSA-N 406.313 4.837 50 40 HJGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1C 12859110 AUCZHNCMJDCQFP-CVKSISIWSA-N 402.494 4.720 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1 59503357 AGCQJRVYYLFMRS-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N\c3ccccc3)ccc2O)cc1C 101625874 BOJFXTZQULLUQB-HJGFNLKQSA-N 402.454 4.954 50 40 HJGB CCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102585769 QNEOQMDKKQLOKM-UHFFFAOYSA-N 422.485 4.876 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)cc1Cl 408733843 AZJGBUZAKYVZTK-UUILKARUSA-N 419.662 4.685 50 40 HJGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc2ccccc12 408950043 DFNLCAZVHUQZLG-DJKKODMXSA-N 422.076 4.722 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 409075409 YIUGMQMMFZEXQK-PXLXIMEGSA-N 414.505 4.988 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409209243 IEOBRYYKYJPEBT-YBEGLDIGSA-N 418.365 4.763 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1cccc2ccccc12 409367567 ANMPRZHDGRRYBV-PXLXIMEGSA-N 412.489 4.957 50 40 HJGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)[C@H]1COc2ccccc2O1 13597837 XPYNFPNVVDSRQH-LMYHHNOQSA-N 417.248 4.544 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)cc1 59198774 CGFVEMSLVDYLSM-CPNJWEJPSA-N 400.434 4.896 50 40 HJGB Cc1sc2nc(/C(C#N)=C\c3cc(Cl)c4c(c3)OCCCO4)nc(O)c2c1C 61110222 SAEHLDWYNWCNIX-MLPAPPSSSA-N 413.886 4.893 50 40 HJGB N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 103724017 GGUBEBKHNDHAMS-FMIVXFBMSA-N 411.374 4.742 50 40 HJGB COc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1OC 408777152 VXYBWLUKFXGOTD-MFKUBSTISA-N 420.534 4.901 50 40 HJGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1 409191862 OZUWRPPVWUOBHX-DHRITJCHSA-N 423.900 4.606 50 40 HJGB Cc1n[nH]c2c1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)C(C#N)=C(N)O2 646881 NZFXAAMKARIHNL-HSZRJFAPSA-N 408.461 4.669 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC#N 2805834 ZRASIWRRSOYVPX-CVKSISIWSA-N 413.433 4.651 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 4778831 VARNJCMEEYHIBO-DNPFKWNUSA-N 421.453 4.897 50 40 HJGB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCCl)cc1 8835973 RLCXFWVPUDNXKF-SFHVURJKSA-N 421.722 4.764 50 40 HJGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408792673 BJCAKBYYOBZCDF-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@H](O)c1ccccc1 409147481 ZGKCSBXNQMHBCE-JOWQQVNMSA-N 410.473 4.603 50 40 HJGB Cc1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2 4854871 PCNNYBRPMHVQJI-JGBSRCSISA-N 418.902 4.654 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 13798680 NIHUHZJIPNDZBU-UYRXBGFRSA-N 417.440 4.566 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1[N+](=O)[O-] 28217561 DWPWRVCECLXWFT-FSJBWODESA-N 410.861 4.728 50 40 HJGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914789 AWALQUTXFDEUNP-KSEXSDGBSA-N 416.264 4.651 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 1189001 OXFLQZYNFQWIKG-SFQUDFHCSA-N 404.401 4.687 50 40 HJGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(O[C@@H](C)COC)cc2s1 20133079 SIRQBYUAPYVBJS-AAEUAGOBSA-N 415.353 4.602 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C#N)cc2)c1C 108154126 ZGDGXEJWJDYOQY-LQKURTRISA-N 422.488 4.892 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(N2CCCCC2)cc1 408959519 AGDBXJDSALIBBJ-DIBXZPPDSA-N 413.521 4.873 50 40 HJGB Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1C 409063477 LOORIYRFLSVIII-ZMFRSBBQSA-N 408.933 4.927 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 8812638 RAUKJPGBOLRNKZ-SSDVNMTOSA-N 417.234 4.621 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1 107776531 SOWPKFYJPHMIHU-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)ccc1Cl 408590223 OFASONONJYOSMG-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 33575757 NELGDAAKRNTVAG-IWIPYMOSSA-N 423.310 4.740 50 40 HJGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C 208215284 JTAWYRICYXUFHH-IXBOPPFXSA-N 413.949 4.900 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c(C)c1 408854766 AWGPODLUTQFYBF-QFEZKATASA-N 417.465 4.736 50 40 HJGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 409365610 UYJRTNAKVAYVCD-ONUIUJJFSA-N 402.494 4.529 50 40 HJGB COc1ccc(NC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc1 1717185 OESJIMGGLYRELO-UHFFFAOYSA-N 409.357 4.941 50 40 HJGB CCCOc1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC 4676570 WJLXYFQXTQQGNA-NTUHNPAUSA-N 413.275 4.582 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc2cc(Cl)ccc2c(=O)[nH]1 9425348 WVIUSJFDAHDLBG-UKTHLTGXSA-N 422.275 4.788 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1 98067974 AGHBJXFLLLSBOR-ZHTGWBIJSA-N 400.434 4.518 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118919456 GFJOPLHDGOHLPB-JPMAZUIQSA-N 415.578 4.541 50 40 HJGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 408718943 WZKQBGZFVPAYSD-PTMNSZNESA-N 401.304 4.986 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2c1 409187067 LNWNMSXFGVIGHE-YDZHTSKRSA-N 419.393 4.764 50 40 HJGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409227509 PRVBUUZDVNWGTG-BKAYVGFPSA-N 400.434 4.738 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1833348 WPBMKMXMEFLDDJ-RQZCQDPDSA-N 408.417 4.653 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1 2230903 YLEVFKXPGXQAIH-SFHVURJKSA-N 411.914 4.568 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 10315743 VTEPEWGRXVOYCO-YZSQISJMSA-N 419.525 4.584 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C\c2ccc(F)cc2)C1 33335819 KWPXQJDDZOQFIP-NUZRTGFDSA-N 419.475 4.834 50 40 HJGB O=[N+]([O-])c1cccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)c1 104392619 JLZXXNVUPCZYPO-SANMLTNESA-N 418.217 4.973 50 40 HJGB Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408955571 YNTYSQAWQYVVSU-FMCGGJTJSA-N 410.861 4.601 50 40 HJGB Cc1cccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)c1 409226815 VSEIWXCOBVMILV-DJKKODMXSA-N 410.109 4.592 50 40 HJGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C(C#N)=C(N)O3)cc1 985827 QFAKULKMSXKJTI-OAQYLSRUSA-N 413.525 4.559 50 40 HJGB CCCN(CCC)c1ccc(/C=N\NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 32573492 KNZRINVRXBEXAH-GIKSKMNSSA-N 401.938 4.884 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 58871459 YYYBTBDPKIGUAI-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OC 211716466 ZXMKUIOUILJVPE-QFEZKATASA-N 424.884 4.700 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408762569 PIORSRFQXIXPLM-NBVRZTHBSA-N 424.460 4.696 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(F)cc1 408980063 UHBWLDSCKGHLGK-UDWIEESQSA-N 419.456 4.864 50 40 HJGB CC/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 4461661 MPPBCEWKHFSBKK-HIXSDJFHSA-N 403.438 4.571 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Br)cc1)c1ccccc1 4470938 CXAHPBVCSGRQMK-FMNVXAMXSA-N 421.298 4.624 50 40 HJGB CC[C@H](C)c1ccc(OCCCOc2ccc(/C=N/NC(=O)OC)cc2OC)cc1 9057143 RUOIJIUXNSPAFA-FLVDCRJSSA-N 414.502 4.747 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1 32194053 CHSTYCDUQSGSKY-BHGWPJFGSA-N 417.343 4.946 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 59921013 AQXUCQXKWDUDJB-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408794223 IIIXWAMNPDAMBE-XNTDXEJSSA-N 415.276 4.950 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 409214495 XUQOHTFGRYCUBW-UYRXBGFRSA-N 401.422 4.853 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OC 409328077 YRSCRAPQKSKORW-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB Cc1n[nH]c2c1[C@H](c1ccccc1OCc1cccc3ccccc13)C(C#N)=C(N)O2 646897 PUVGQVCIJYLMSE-HSZRJFAPSA-N 408.461 4.669 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl 10059324 NZPSXCPWWQMVFE-MFKUBSTISA-N 422.868 4.722 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(N(C)C)c(Br)c1 18272103 WCBADTIAJHVIRN-VGOFMYFVSA-N 420.314 4.524 50 40 HJGB O=C(NNc1ccc(Cl)c(Cl)c1)c1nn(-c2ccc(F)cc2)c2c1CCC2 40032237 UBUFAPQDCSJHPV-UHFFFAOYSA-N 405.260 4.564 50 40 HJGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 408847645 NWQUFQMJRGBFPJ-XFFZJAGNSA-N 407.253 4.565 50 40 HJGB CCn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1782956 XXJUGVLROZXWQI-BUVRLJJBSA-N 421.570 4.505 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)Cn2cnc3ccccc32)cc1OC 408691946 ZLECIJKPASANOL-NVNXTCNLSA-N 412.287 4.813 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1O 408740585 LPVWJOPBJDRTMZ-ZMOGYAJESA-N 411.889 4.616 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 408923815 KJJWOSSRUCUVEG-CPNJWEJPSA-N 400.438 4.856 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Br)s1 409000349 YQGWEOKCYYQZDM-MTJSOVHGSA-N 415.312 4.707 50 40 HJGB COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1ccccc1 636729 AMYCUVSSOKBTMU-MFKUBSTISA-N 420.534 4.825 50 40 HJGB O=C([C@H](Br)[C@H](Br)c1ccccc1)N1CCCc2ccccc21 1801213 AHKJJLSEHAGTSQ-IAGOWNOFSA-N 423.148 4.866 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1 6968841 BZCWKOTZQQCCHD-JVWAILMASA-N 411.505 4.699 50 40 HJGB C/C(=N\NC(=O)CC#N)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 67194257 YRTCIQITXOOFGW-UGWMBURPSA-N 404.901 4.920 50 40 HJGB COC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1 95676364 VRCAPMBFOIHHRG-UHFFFAOYSA-N 401.422 4.560 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408728784 UCNPRJLVOKCTPT-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCC#N 408793411 DZFWIECYLFTNPF-LICLKQGHSA-N 409.873 4.804 50 40 HJGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc(OC)c1OC 692243 WUXYQXSPHDYETR-HXUWFJFHSA-N 422.868 4.737 50 40 HJGB N#C/C(=C\C=C\c1ccccc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 1395445 MFAHJQIDRJEKBW-XICJKMHVSA-N 411.486 4.602 50 40 HJGB O=C([C@H](Br)[C@@H](Br)c1ccccc1)N1CCCc2ccccc21 1801211 AHKJJLSEHAGTSQ-DLBZAZTESA-N 423.148 4.866 50 40 HJGB O=C(C[C@H]1Sc2ccccc2NC1=O)NNc1c(Cl)cc(Cl)cc1Cl 2048556 BHECGSZRRKHGAD-CYBMUJFWSA-N 416.717 4.593 50 40 HJGB O=C(NNC(=O)C1CCCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1 6600687 NADQFOZZUIFXCN-UHFFFAOYSA-N 414.505 4.884 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 9057353 JOVCWEGDYMIZTD-RVDMUPIBSA-N 418.365 4.617 50 40 HJGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc3ccccc3c2)c(Br)c1 30902109 PJBUPJBHNCBHDD-FMCGGJTJSA-N 411.299 4.748 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C 223530991 OALBIAWNBJKJBE-FTWDSPQQSA-N 413.949 4.981 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1 408771219 DQZHUVSNFASMMV-ZROIWOOFSA-N 422.824 4.852 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccccc1Br 408998108 SYLFCIVKMUCSLP-UDWIEESQSA-N 401.285 4.957 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409363759 IKRAHJPEGGZPFF-YSURURNPSA-N 406.244 4.955 50 40 HJGB O=C(N/N=C/c1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl 1735464 WJMPEDBFVZXTPW-BPYXDGQXSA-N 404.084 4.967 50 40 HJGB CCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1 20132554 KUXNZHSGIPUQNI-QMMMGPOBSA-N 406.143 4.869 50 40 HJGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(Cl)c(Cl)c1 27519367 LQLBHUCKMQLFSO-BRJLIKDPSA-N 424.287 4.612 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 33660521 IWJUBPSFAQWMNJ-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)o1 408744837 NMZFHNMJAZCNHQ-PTNGSMBKSA-N 403.394 4.718 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br 408800572 PTDKWXOFXPZOLP-MDWZMJQESA-N 405.679 4.965 50 40 HJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408878879 DEVCBMFDRNSUIQ-UUILKARUSA-N 411.672 4.627 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(=O)O)cc1 408992701 BAVLZAOLRMSSOW-YSMPRRRNSA-N 411.461 4.709 50 40 HJGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)cc1 409062896 CMCVZUTUCPAVAZ-PCLIKHOPSA-N 404.466 4.976 50 40 HJGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc(NC(=O)c2ccccc2)cc1 409185318 WZPGNZNAIXQGEX-NLRVBDNBSA-N 417.534 4.880 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409370394 QDJYHTNDHLFXSW-ZROIWOOFSA-N 410.817 4.604 50 40 HJGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4329547 NFFOMRVNEXFZIB-RVDMUPIBSA-N 405.439 4.653 50 40 HJGB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)N/N=C/Cc1ccccc1 4600513 HQHWCVMDDQSCKU-JFLMPSFJSA-N 411.505 4.943 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc2ncccc2c1 5986610 OVYSLEFBFVONGX-MOSHPQCFSA-N 408.461 4.894 50 40 HJGB CCC[C@@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1 20132560 MLWYEVMCOBJQGB-MRVPVSSYSA-N 406.143 4.869 50 40 HJGB O=C(Cl)/C=C/c1ccc(OCc2ccccc2F)c(I)c1 226333294 ZUVALCJHVFBKPV-SOFGYWHQSA-N 416.617 4.788 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OCC 408719358 CICCBIQRWHQIBF-YDZHTSKRSA-N 418.946 4.687 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409119864 QSLDBGUIGMTPDI-SSDVNMTOSA-N 409.338 4.942 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/[C@H]3COc4ccccc4C3=O)n2)cc1OC 44827440 XZOOBTRVTMAOBS-LRQZKABGSA-N 418.474 4.626 50 40 HJGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408795795 NCWLBZMPPQKNRX-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 408892867 KKHBCRRVIOOSCC-FSJBWODESA-N 412.946 4.526 50 40 HJGB COc1ccccc1NC(=O)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408939603 TUHNSADVBOTLFJ-CFRMEGHHSA-N 402.376 4.660 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1C 664719 HSSPEYXGPOTQAN-KRWDZBQOSA-N 421.298 4.674 50 40 HJGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc(Cl)c1 3170220 BMSXBCQHZVWOFP-SCELWYEFSA-N 408.885 4.837 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)C2CC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 17081820 GCPLDRLWDUHKEI-XNTDXEJSSA-N 400.356 4.566 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1 59255706 FKIGFRNEHWPHLU-XSFVSMFZSA-N 416.864 4.783 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(C)cc1 408892040 AAOOPZGWDIOZAV-CVKSISIWSA-N 418.493 4.664 50 40 HJGB COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc3ccccc23)cc1 408895595 LLVUJAWBZNKLSE-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C 408926913 ZBOYAALHGRKQJG-WOJGMQOQSA-N 418.428 4.996 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1C 408931954 AEHXAAZUHLHINC-UVHMKAGCSA-N 414.431 4.675 50 40 HJGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 409235922 QMYOSJCDXLEVGR-UCQKPKSFSA-N 421.478 4.584 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)n2c1 408869029 QKFUKZIMZIBEEG-LGJNPRDNSA-N 413.525 4.739 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC#N 408986735 DGRCCPYJTKXLAK-WQRHYEAKSA-N 421.884 4.834 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 3616353 DQPBZSZSKUSVOY-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 4194782 OLLUDIPFMKDQPP-MTJSOVHGSA-N 410.257 4.601 50 40 HJGB Cc1sc2nc3n(c(=O)c2c1C)C[C@@H](Br)[C@@H](c1ccccc1)S3 4942573 ABHBMVXRHLIQBV-TZMCWYRMSA-N 407.358 4.685 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c1 5163980 OTFRDKGOBYIKFI-HNNXBMFYSA-N 413.264 4.610 50 40 HJGB C/C(CCC(C)C)=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 5533999 SNBXWCAVJSAJSW-PTGBLXJZSA-N 415.559 4.646 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1[N+](=O)[O-] 33406465 IQTWHUWGVMUMFC-UNOMPAQXSA-N 400.438 4.856 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)o2)cc1 58915785 VULBQAAWWAWBRU-DTVDJLOLSA-N 422.506 4.754 50 40 HJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccccc1Cl 59459337 UVHLZRLWOKABLN-SSDVNMTOSA-N 421.722 4.510 50 40 HJGB COC(=O)c1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104387489 RVMZJIHSFOZXQB-UHFFFAOYSA-N 412.469 4.700 50 40 HJGB CN(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 107663908 ZASRUICCXXJDLP-MFKUBSTISA-N 407.901 4.749 50 40 HJGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 223476621 VXENLFJCTAXHKL-ZVHZXABRSA-N 406.486 4.769 50 40 HJGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1nc2ccc(F)cc2[nH]1 408568348 JBSZPVNUTSTNHR-ATVHPVEESA-N 412.424 4.784 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)o1 408591481 UHTPDONHDCGYFT-SRZZPIQSSA-N 400.276 4.522 50 40 HJGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccccc1Cl 408779415 WNLNFOCQOYYUSQ-PTNGSMBKSA-N 420.812 4.981 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1cccc(Cl)c1 408860091 RVDCKQQOJAWTTO-AFUMVMLFSA-N 424.884 4.787 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 409235581 CFBBQYTXWSLKIP-OJSPLJLUSA-N 414.465 4.787 50 40 HJGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccc([N+](=O)[O-])cc1 1209452 ZPUVRYBJVOJBOQ-VZUCSPMQSA-N 424.048 4.890 50 40 HJGB C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(C#N)cc1 4962386 BRFAMFWKKXYPMS-HYARGMPZSA-N 416.344 4.570 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(N2CCCC2)cc1 7384687 VWRVTSKMONHYDG-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB O=C(N/N=C/c1cc(Cc2ccccc2)cc(Br)c1O)c1cccs1 32118687 YRJMYTMKCAWGOS-CIAFOILYSA-N 415.312 4.571 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 33635336 RCLAWTONNHIJSZ-MTJSOVHGSA-N 415.858 4.685 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408796302 XTUIFTVYJXMTMU-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1Cl 409002850 WVGAKRRXBQVMLV-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 800308 HPBULZBTBNFWBD-GOSISDBHSA-N 400.356 4.780 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OCC 5464401 LCEWZWZICDVPNG-QKIXXSFTSA-N 418.946 4.934 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(Br)c1 59249185 GDWKWVACYZKQCF-CIAFOILYSA-N 402.679 4.657 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C 408756506 SMWQJTKDUCIURX-LGJNPRDNSA-N 408.933 4.927 50 40 HJGB Cc1ccc(-n2cccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1Cl 409019552 JQYFUGRVIZGCPZ-XYGWBWBKSA-N 402.885 4.994 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(SC(F)(F)F)cc1 804039 UDRKCFIVGZQISZ-HNNXBMFYSA-N 414.412 4.907 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)cc1 977749 XMTVCSABPRZRTD-NBVRZTHBSA-N 416.433 4.678 50 40 HJGB C/C(=N\NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccc(Br)cc1 5739019 SLNVYOKTWQLCCN-BGHCKBSUSA-N 410.315 4.943 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C)c1 20194395 JQHWNINTRXSXFT-FSJBWODESA-N 411.845 4.818 50 40 HJGB N#CC1=C2SCN(CCCc3ccccc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1 20348114 NYJINFHPEBZKDX-FQEVSTJZSA-N 423.969 4.988 50 40 HJGB N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1 25583781 NOHSUVLKYAKYAI-VIZOYTHASA-N 422.275 4.539 50 40 HJGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 33788614 RCLIPVOLHHHDLV-YDZHTSKRSA-N 418.478 4.981 50 40 HJGB CN(C(=O)C1CC1)c1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl 40143084 YXOXCZUZAIFKAN-UHFFFAOYSA-N 412.704 4.777 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 59432928 BFWOYZCZQGPHPI-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB Clc1cc(I)c(Br)c(CBr)c1 169795574 HMEYQOQDNWIKSW-UHFFFAOYSA-N 410.274 4.602 50 40 HJGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408747019 XYCSPTITDGILOH-LCYFTJDESA-N 416.662 4.551 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408866114 FSSSAHTXYMJHTJ-LFIBNONCSA-N 414.383 4.662 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OC 409312622 FVIKVCHYUWVXJJ-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 2054974 MIQDRKYDXOXLFA-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(F)c3)o2)cc1 2306312 GYMZTYJXVJCOEO-SFQUDFHCSA-N 404.397 4.808 50 40 HJGB Cc1c(C(=O)N/N=C2\CCCN2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3222717 GJXBKOPUVBWRHO-UHFFFAOYSA-N 424.473 4.779 50 40 HJGB O=C(N/N=C/c1ccccc1)c1cc(-c2c[nH]c3ccccc23)n(-c2ccccc2)n1 4460120 DOGBZGLMIGBHIN-JVWAILMASA-N 405.461 4.785 50 40 HJGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl 5879689 TWCAKVOXCRFZJM-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(N2CCCCCC2)cc1 13056121 VZRHXCBWCLUYIG-XIEYBQDHSA-N 401.514 4.611 50 40 HJGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1 17206849 ILMHBOAIBZXWFK-ZXVVBBHZSA-N 400.522 4.760 50 40 HJGB NNC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339756 ICLKNBGUXVMCRS-UHFFFAOYSA-N 424.509 4.592 50 40 HJGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 408816649 WMCUBAHCCNSEMZ-AQTBWJFISA-N 417.396 4.859 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1OC 409009336 DJJJQVNJMCRASC-XYGWBWBKSA-N 406.482 4.556 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 4358613 AWJNAAUCXJTZMB-WGOQTCKBSA-N 409.574 4.996 50 40 HJGB CCCn1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21 8812943 CKVUSXRTSGQSMR-WSDLNYQXSA-N 414.303 4.586 50 40 HJGB CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 16741538 OEROPIGSOMLAPV-STZFKDTASA-N 416.477 4.932 50 40 HJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cccc1[N+](=O)[O-] 28217468 GXGXGVIETULFRZ-FSJBWODESA-N 410.861 4.728 50 40 HJGB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Br)CS1 36625078 RUKCUTKHFJNCQW-JSGCOSHPSA-N 407.358 4.533 50 40 HJGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br 408746890 HFVNVERYNBNSQZ-NVNXTCNLSA-N 419.706 4.725 50 40 HJGB COc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409311525 GUTQKGHGHWJFLJ-QFEZKATASA-N 424.884 4.700 50 40 HJGB Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c(Cl)nc2c1 898803 SFCGHGKUOBIPDH-LJQANCHMSA-N 407.901 4.956 50 40 HJGB Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 2223898 JJWKFMVUIJEGSH-NRFANRHFSA-N 404.491 4.633 50 40 HJGB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[n+]2c1SC[C@@H]2CBr 5604477 WCLLSKMLECLMRQ-NSHDSACASA-N 400.243 4.573 50 40 HJGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 9805747 KMQPTSAJKXAMHD-WPWMEQJKSA-N 423.472 4.865 50 40 HJGB CC/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(OC)c(OC)c1 59401579 SSKCCUFGCAMAEU-OQKWZONESA-N 406.935 4.521 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1ccc(Br)cc1 408600518 CIUYTLBGISKHLD-LSHDLFTRSA-N 405.198 4.751 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cncc(Br)c1 1435365 VMZOLAJBJSOPKJ-UFFVCSGVSA-N 404.651 4.521 50 40 HJGB CCOc1ccc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CCCCC3)c2)cc1 5475438 JWGMKWWPMUJOMI-ONUIUJJFSA-N 407.514 4.758 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)cc1 59117130 HKWPCHQLRZCMHR-LGMDPLHJSA-N 404.397 4.808 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408590924 RKVSZEQAWWPPSM-BLTFUYFMSA-N 416.308 4.585 50 40 HJGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4c(C)cccc4C)c3C)c(C)nc2c1 408789039 ILVQXWJBZZQMQE-VULFUBBASA-N 413.525 4.739 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 409054633 URVOULPWTQRVMR-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB Clc1ccc(C2OC[C@@H](Br)[C@H](Br)CO2)c(Cl)c1 3047695 HGAWYKFXGMWDSI-RKDXNWHRSA-N 404.913 4.566 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc([N+](=O)[O-])c1 3055449 VRMOTAICAZGLTP-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB COc1ccccc1/C(C)=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 4700541 KXJPDDJUASWPPN-XHPQRKPJSA-N 415.493 4.681 50 40 HJGB CCc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 9110636 KEMKQKHOKVBUMD-WPWMEQJKSA-N 424.504 4.982 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 9201450 ZYWNQKCKSYZXCZ-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 59302368 JAXGXKCPZACTFB-OWBHPGMISA-N 410.246 4.925 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OC 409068549 HAJLSVXRTSZKMQ-MHWRWJLKSA-N 416.399 4.997 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OC 409311180 YMXGMJOQEXUWIX-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C/c2ccc(Cl)cc2)C1 19597258 GTYYIFJDTNWPHN-YGYUYSJASA-N 403.913 4.821 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OCc3ccccc3)c2)c1 39486051 XMCZAKUMECPLMQ-MOSHPQCFSA-N 414.461 4.828 50 40 HJGB CC1(C)CC(=O)C(C#N)=C(Nc2ccc(NC=C3C(=O)c4ccccc4C3=O)cc2)C1 101462825 VAMYDRZFXCMTNC-UHFFFAOYSA-N 411.461 4.640 50 40 HJGB BrCc1ccc2oc(-c3ccc(I)cc3)nc2c1 226317908 JQRQHMDCBXPXMC-UHFFFAOYSA-N 414.040 4.994 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] 408599267 RICYTMUUIQJAAX-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)cc1 408779613 GGSPTMWHVUWUEZ-ZDLGFXPLSA-N 413.315 4.768 50 40 HJGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1 409065946 GLDDEQGHBXXYKD-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NC1CCCC1 409191222 DQUCKYLQFOJEQE-AQTBWJFISA-N 414.465 4.564 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OCC 5464415 LCEWZWZICDVPNG-FVQJWRHTSA-N 418.946 4.934 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1 59437047 XOUUHMVHNNHOPO-CIAFOILYSA-N 421.360 4.621 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(OC)c1 107757105 ZVZRXLWTBZDBQH-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1O 408528330 HHVNIVMUKXAGLH-SDQBBNPISA-N 409.077 4.990 50 40 HJGB COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 409145609 OYALXSSYYUHEIB-FSJBWODESA-N 403.265 4.955 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(C(F)(F)F)c1 622796 DMOFYRVNHAMTJM-HNNXBMFYSA-N 416.790 4.967 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)s2)sc2c1CC[C@H](C)C2 1297168 PDDCRSFKOCBUBX-LQELWAHVSA-N 414.552 4.965 50 40 HJGB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(F)cc1 8812311 QIONYXTWBPIVQO-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(Cl)cc1 59333720 VHRKEROHNJEIMZ-UNOMPAQXSA-N 410.901 4.651 50 40 HJGB Cc1cccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)c1 8686148 JNGOOPTUFMCDEA-UHFFFAOYSA-N 420.523 4.524 50 40 HJGB O=C(N/N=C1/CC[C@@H]2C[C@@H]1CC/C2=N\NC(=O)Nc1ccccc1)Nc1ccccc1 102311032 CPTMODILXKXYMH-ZXZWEKBQSA-N 418.501 4.552 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(C#N)c1C 408547590 ZHRYIEMREHAZIY-VCHYOVAHSA-N 406.507 4.947 50 40 HJGB COc1cc(OC)c(/C=C(/C#N)Sc2nc3ccccc3[nH]2)cc1Br 408598919 LCRQYMHHHVYYBV-GHXNOFRVSA-N 416.300 4.999 50 40 HJGB C/C(=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc2ccccc2c1 5455323 VNOWAZOSZAWQGB-XYGWBWBKSA-N 402.885 4.892 50 40 HJGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC=C)c(C)c1 27018978 RFEGWBSXRWWQEB-LTGZKZEYSA-N 424.504 4.622 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1F)c1nc(O)c2ccc(Cl)cc2n1 32815499 MQILYGSHIFEQOK-BJMVGYQFSA-N 404.626 4.955 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33707012 PFEXJXPFJHCRBU-WYMPLXKRSA-N 417.343 4.566 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OC 408961376 BTPZDARNZLPBTE-AUEPDCJTSA-N 400.784 4.530 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 660151 SCYMUFQMUANVBW-GOSISDBHSA-N 408.914 4.882 50 40 HJGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(CC)s2)cc1 1085508 LMVPQGLWJBBUKY-STCDJXRXSA-N 403.504 4.651 50 40 HJGB CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 6592676 YZTMXBFVNUOZBM-RGEXLXHISA-N 422.481 4.596 50 40 HJGB COc1cc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)ccc1OC(C)C 9324693 GHFTYCODFQIKKS-VLHBLDLISA-N 418.497 4.692 50 40 HJGB COc1cc(C)c(O)c(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 104147276 UZYREBZYYZCRFO-UHFFFAOYSA-N 414.485 4.936 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 408678354 XMQOLTTWMBGHPQ-PCLIKHOPSA-N 406.917 4.803 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1O 409211765 OMDUYQZJFYIYEW-QFEZKATASA-N 400.434 4.793 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCCCc1ccccc1 409245832 ZQGRQUVRWVUVQP-UQQQWYQISA-N 421.500 4.793 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccc(Br)cc1F 867544 SLLGEBQLNQRHIY-IZZDOVSWSA-N 424.067 4.896 50 40 HJGB O=C1C=CC=C/C1=C1\N=C(c2ccccc2OCC(=O)c2ccccc2)SS1 5832742 KGTSUOHVDSEKTR-PGMHBOJBSA-N 405.500 4.997 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OC 6207157 HXOGMRXCIDMRBQ-NVNXTCNLSA-N 402.244 4.619 50 40 HJGB CC[C@@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1 20132447 CQVPLYQLSKPKCA-GFCCVEGCSA-N 415.353 4.602 50 40 HJGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CSCc2ccccc2)cc1 20246311 FDRWJFYVUNDMBM-ZVHZXABRSA-N 404.491 4.582 50 40 HJGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 979556 JZFNZFLODUWATL-ZMOGYAJESA-N 420.812 4.676 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1 2197986 HYTUDNHRGOEBPX-IBGZPJMESA-N 423.563 4.637 50 40 HJGB O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 14134899 DIXAKVOZADDFSF-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1O 408866968 IFVNXIYHUPUQQA-MXAYSNPKSA-N 403.869 4.813 50 40 HJGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2C(=O)O)cc(C(C)(C)C)c1O 408924288 MOGYGUXBJIALMK-CVKSISIWSA-N 424.541 4.768 50 40 HJGB N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 15228788 WMBQPMVZVMDQDD-WQLSENKSSA-N 414.248 4.578 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1OC 58917519 HXHLHMPDYQSZCQ-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB Cc1cc(OCc2ccc(C(=O)N/N=C3/CC(=O)c4ccccc43)cc2)ccc1Cl 103453470 KDBYPVQOTODLCE-ROMGYVFFSA-N 418.880 4.948 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)cc1 408772751 MXYCRHXULOORCD-UXWOMARYSA-N 420.520 4.610 50 40 HJGB O=C1/C(=N/NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 102386223 GLWCXKMCMJSGTJ-IMVLJIQESA-N 422.424 4.773 50 40 HJGB C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 409040312 GGIDXZWVYZEYFS-NTEUORMPSA-N 401.249 4.560 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 409045374 GMQWRSBZEQSWLZ-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1 409188600 FIWUTCVSKDRGMW-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1 16216767 JZTFIMYAWRFIFY-STZFKDTASA-N 416.452 4.637 50 40 HJGB CCC(C)(C)C1CCC(=NNC(=O)[C@]2(C)CC2(Br)Br)CC1 17092876 ARIREDVIEJPMKG-MHTVFEQDSA-N 422.205 4.981 50 40 HJGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 58871486 WBZJRTOOAFXVDP-LFVJCYFKSA-N 421.522 4.943 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)C2[C@H]3CCC[C@H]2C3c2ccccc2)c(O)c1 102477378 JCMFVMFUPUOMKO-XIBKWGRTSA-N 405.542 4.518 50 40 HJGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1cccc(Oc2ccccc2)c1 408728006 UNRFHEKZAVTIMZ-OEAKJJBVSA-N 421.478 4.771 50 40 HJGB C/C(=N\NC(=O)c1ccc(F)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408839696 CENUFKUAYZZUPV-VULFUBBASA-N 409.848 4.885 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OC(C)C 9202295 YQHMCLPTJFIKBR-WSDLNYQXSA-N 419.319 4.707 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 59433856 ZNIYUKABZCWSFK-YZSQISJMSA-N 409.445 4.721 50 40 HJGB Cc1cc(C)cc(OCCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)c1 4673371 VPCNLGFLQOEEFB-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB CCn1c2ccccc2c2cc(NC(=O)C(=O)NN=C3CCCCCCC3)ccc21 4675496 DFVWMCRZRRRESA-UHFFFAOYSA-N 404.514 4.969 50 40 HJGB CCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1 4677983 DLNKKPBDEIIIFG-WGOQTCKBSA-N 415.497 4.891 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(SC)cc2)C(C#N)=C(N)O3)cc1 5457835 ZNKHKGFVHIMURB-IBGZPJMESA-N 418.522 4.806 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 10315691 IBZACURMTKXEDO-WPWMEQJKSA-N 411.505 4.781 50 40 HJGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(O[C@H](C)COC)cc2s1 20133085 SIRQBYUAPYVBJS-YPMHNXCESA-N 415.353 4.602 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C)c1 20194398 ZNVHYFIUTDFYNT-FSJBWODESA-N 411.845 4.818 50 40 HJGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(Br)cc1 20248055 RUBOKJOMEKBOPB-UDWIEESQSA-N 411.752 4.876 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 212543493 VZPBUVADBUHSSS-BOPFTXTBSA-N 404.401 4.687 50 40 HJGB O=C(Cl)c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226340486 DWPXPVXQBSZDCI-UHFFFAOYSA-N 405.031 4.969 50 40 HJGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccccc2)o1 408570592 WZFKFFDXRFYSFI-OEAKJJBVSA-N 424.547 4.954 50 40 HJGB COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408864764 ZRXUOBVBYRAOAB-JJIBRWJFSA-N 413.521 4.821 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)c(F)c1 408965876 JOAVFVVVLAQVKG-XODNFHPESA-N 414.415 4.603 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 409196866 ROXNHRBINBLYRC-QOOAEOCLSA-N 421.859 4.816 50 40 HJGB Fc1ccc(-c2nnc(C(Br)c3nnc(-c4ccc(F)cc4)o3)o2)cc1 3013278 FUINAUWMRVMIJF-UHFFFAOYSA-N 419.185 4.549 50 40 HJGB CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)COc1ccccc1-c1ccccc1 5369549 PCAWQQNSMSATDR-JKEJTJDVSA-N 414.461 4.667 50 40 HJGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2C1 21274410 NTWBFAOALRIIHD-BUAGIIGSSA-N 402.388 4.722 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(Cl)c1 59248708 YOEYUBHVBGQZLI-CIAFOILYSA-N 402.679 4.657 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc3ccccc23)c(C#N)c1C 107779457 NIXWXILCRINSNW-WOJGMQOQSA-N 414.486 4.977 50 40 HJGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408677534 RKABPWBUVZZORP-MTDXEUNCSA-N 424.504 4.501 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(F)cc1 408849962 BTJZLEVGYPKGMZ-QGOAFFKASA-N 417.396 4.859 50 40 HJGB O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)c1cc2ccccc2o1 408857792 MPLRJAXJRVEOAB-MXAYSNPKSA-N 414.417 4.504 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccncc1 4194427 XHRWLSJSCRWQIW-SFQUDFHCSA-N 413.458 4.983 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1 408796963 QLMPLMRNDZNGBU-KGENOOAVSA-N 412.445 4.818 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408802585 ZDMVWNYHLHJIMT-HUCUOGIVSA-N 416.481 4.728 50 40 HJGB O=C(NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1)Nc1ccccc1 2759748 YYJZJQVEJLAKIF-UHFFFAOYSA-N 420.252 4.632 50 40 HJGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc2ccccc12 3242679 LUVWJAPHOAPEDJ-VCHYOVAHSA-N 406.869 4.863 50 40 HJGB O=C(N/N=C/c1ccccc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 3275329 RZIQIFQADZQHTI-MFKUBSTISA-N 400.869 4.957 50 40 HJGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 8368406 DQSPCDZSCVGJLI-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr 95707793 ABBOXTQECRSSQR-UWTATZPHSA-N 405.880 4.613 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1[N+](=O)[O-] 408818921 PLORSBRMBCMNJK-WQRHYEAKSA-N 418.428 4.996 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCCC 409074331 ZBWZWBSGEFKSOF-XMHGGMMESA-N 406.482 4.854 50 40 HJGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc(Br)cc1 1954340 GCAQLRHHYFPFIT-CIAFOILYSA-N 409.711 4.720 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1 2225907 UKSKPISLZMMBML-MRXNPFEDSA-N 411.527 4.767 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 3326192 YPCWQIPETGURPM-WBNHJWIASA-N 418.324 4.603 50 40 HJGB CCCC/C(=N/NC(=O)c1ccccc1I)c1ccccc1 4018192 YVHVCENZKIAMPY-JZJYNLBNSA-N 406.267 4.616 50 40 HJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1cccc(C)c1O 5390610 SJTLGMIHSPYEDC-WPWMEQJKSA-N 416.481 4.579 50 40 HJGB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)CCCCl)ccc3o2)cc1 6242702 OWQXZOAJQASKGE-UHFFFAOYSA-N 417.918 4.726 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccccc1Cl 9933376 VIEKVEDDSPZYOV-ZMOGYAJESA-N 423.856 4.773 50 40 HJGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccccn2)nc2ccccc12 12561421 DPEVPMVWHGKFLV-INNBYIHDSA-N 423.432 4.634 50 40 HJGB C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 408542949 MDHSSWWUHOYSKP-SXGWCWSVSA-N 414.255 4.785 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccn1-c1ccc(N(C)C)cc1 408954001 RJIQEPFPDVUWCZ-NDENLUEZSA-N 406.493 4.552 50 40 HJGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccccc1 409366473 VESBEHCBJMLIPK-QQXSKIMKSA-N 402.494 4.584 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc(N)c1C#N 2298105 UWJAVIMZFAIUHS-LIMNOBDPSA-N 419.293 4.841 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408742562 AUQHIXYGWUWDKK-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1 408809918 IFDGFQWDVLXWEV-BRFSQIRFSA-N 411.299 4.798 50 40 HJGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 670369 SHHRUWDDPSCDCN-LBPRGKRZSA-N 409.313 4.519 50 40 HJGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCSc1ccc(Cl)cc1 2307547 CVBPVCCGIPMILW-FYJGNVAPSA-N 408.907 4.600 50 40 HJGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1cccs1 8969360 FCUZEAHHXFXTRS-INIZCTEOSA-N 419.531 4.612 50 40 HJGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccccc1 9203484 SLOWOEKQBCHISJ-OEAKJJBVSA-N 410.315 4.549 50 40 HJGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(O[C@@H](C)COC)cc2s1 20133076 SIRQBYUAPYVBJS-WCQYABFASA-N 415.353 4.602 50 40 HJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccccc1 111062045 FOJJICUQYTWXSH-KAMNEISLSA-N 406.526 4.941 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223573754 QSWKOZIZDDQXPW-GCMSVZMUSA-N 408.502 4.779 50 40 HJGB Cc1ccc2oc(-c3ccc(Br)c(NC(=O)CSC#N)c3)nc2c1 226328668 GSSJFMDZDBNLEE-UHFFFAOYSA-N 402.273 4.719 50 40 HJGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408868444 OJHYWTFAOAVWFN-NTEUORMPSA-N 403.251 4.921 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 408964816 FCKWBJYNCFGUFN-RPPGKUMJSA-N 408.864 4.831 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OC)cc3Cl)cc2c1 409186798 HZLIPXXLERHGTD-FMCGGJTJSA-N 416.861 4.656 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)c(C)c1 409237579 VSBACDSSJCZNNP-LCJWNIEWSA-N 414.461 4.826 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCCCc1ccccc1 409245731 YHKPRSLGUGYAIW-XDJHFCHBSA-N 401.422 4.511 50 40 HJGB O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 3068757 ZJJJAGZKVAUIHG-UQMXTKLSSA-N 411.461 4.716 50 40 HJGB CCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 5128494 SYOJBCWYGWMXEE-RIYZIHGNSA-N 403.232 4.829 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 6896418 ISWXKSPVAQKZRQ-WSDLNYQXSA-N 408.414 4.503 50 40 HJGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cn1 33552815 LJVAEXGCPKWNMO-SXGWCWSVSA-N 418.365 4.763 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN([C@H](C)c4ccccc4)CSC3=C2C#N)cc1 102026143 OEVYJVCLAXRFPR-UTKZUKDTSA-N 419.550 4.861 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1 408591993 WYHBWCRZJQGINA-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB COc1cccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)(C)C)cc2)C(C#N)=C(N)O3)c1 664660 FVOHRCGXBFZMNW-IBGZPJMESA-N 400.482 4.601 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(-c2ccccc2)n[nH]1 1106546 YEKZZHMRHLCNHV-JVWAILMASA-N 419.488 4.844 50 40 HJGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1 9435166 DXQBNVAYOSSWMJ-FSJBWODESA-N 412.287 4.580 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccccc1Cl 96860782 VIEKVEDDSPZYOV-CFRMEGHHSA-N 423.856 4.773 50 40 HJGB N#C/C(=C/c1cc(Br)c(Br)o1)c1nc2ccc(F)cc2[nH]1 408570187 SPJJMIVXELJHNY-CLTKARDFSA-N 411.028 4.884 50 40 HJGB COc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408582370 NFWQADQKUGRYQJ-HMMYKYKNSA-N 405.475 4.836 50 40 HJGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc21 408820579 YUBWJBNTOFLUTL-FOWTUZBSSA-N 421.884 4.712 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1 1434080 WYHASCONFXTGQI-AFUMVMLFSA-N 413.433 4.739 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 4923262 BPUPYESOOCJFSB-GOSISDBHSA-N 407.564 4.936 50 40 HJGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OCC 8812427 GJVFXVKRLAWHIK-WSDLNYQXSA-N 423.282 4.540 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(F)cc1 18193317 NKMZRVAWWRYHPT-FYJGNVAPSA-N 416.452 4.637 50 40 HJGB COc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1O 59473507 CJRIKEVLQJJYHH-ZVHZXABRSA-N 406.507 4.598 50 40 HJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408784186 UFQXXJVZGMKIAK-CYVLTUHYSA-N 405.498 4.652 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 408814803 GMKORGVSTCMREG-PDGQHHTCSA-N 416.408 4.679 50 40 HJGB C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408933474 AFEMEODZRANKEJ-JWGURIENSA-N 408.457 4.823 50 40 HJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)c(F)c2)c1 409073034 WXOOVQBOCQWNET-WGOQTCKBSA-N 404.489 4.597 50 40 HJGB O=P(CCC[P@](=O)(O)CCc1ccccc1)(c1ccccc1)c1ccccc1 2310424 QGHLDHAGQNMZDB-UHFFFAOYSA-N 412.406 4.904 50 40 HJGB ClCc1cccc(Nc2nc3nonc3nc2Nc2cccc(CCl)c2)c1 3212599 BGMMNUHEXRIXFQ-UHFFFAOYSA-N 401.257 4.978 50 40 HJGB CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 4507606 GHOCROWXRXBMSD-BUVRLJJBSA-N 404.491 4.668 50 40 HJGB O=C(Cc1ccc(-c2ccccc2)cc1)NN=C(c1ccc(O)cc1)c1ccc(O)cc1 13322328 OGSXPAHVBODZSN-UHFFFAOYSA-N 422.484 4.876 50 40 HJGB C/C(=N/NC(=O)COc1ccccc1-c1ccccc1)c1ccc(OC(F)F)cc1 33416202 MAXCFCWSWFBXCG-QQXSKIMKSA-N 410.420 4.874 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1O 59472998 LBUAHESVFDAHCK-MFKUBSTISA-N 420.534 4.988 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1C 408964181 BOWSPNYGEQOAHH-AFUMVMLFSA-N 409.917 4.839 50 40 HJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1Cl 3083525 PASFSRINCVANRD-MFKUBSTISA-N 400.869 4.957 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc2n1CCCCC2 6344721 VODUVRCMIVBHFA-SILNSSARSA-N 406.493 4.921 50 40 HJGB COc1ccc(/C=N/NC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)cc1 6625457 CUTRXLDUWQXFGE-OJYQVYCKSA-N 404.514 4.632 50 40 HJGB O=[N+]([O-])c1ccc(CCOP(=O)(Cl)OCCc2ccc([N+](=O)[O-])cc2)cc1 103662520 JCTAVWAUACBZKP-UHFFFAOYSA-N 414.738 4.668 50 40 HJGB CC(=O)Nc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1 104083333 KUJKJBAVJVJHIT-UHFFFAOYSA-N 411.485 4.871 50 40 HJGB O=C(N/N=C\c1cccc(Oc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408904986 RNYLOQBFIZJVQA-UCQKPKSFSA-N 401.378 4.897 50 40 HJGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cccc2cccnc12 409015468 ZVJYXLHHTBGIPN-JVWAILMASA-N 413.477 4.706 50 40 HJGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 409129229 KMPALDVIZINZHQ-RGVLZGJSSA-N 412.298 4.675 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Br)cc(Cl)c1O)c1ccccc1 409228737 DKLIDHCSPCGKAC-NGPAHMQLSA-N 405.679 4.592 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 3232334 JINKIGKGZULDHP-GXDHUFHOSA-N 401.235 4.699 50 40 HJGB N#Cc1c(C(F)(F)F)cc(-c2ccccc2)[n+]2c1SC[C@H]2CBr 5604476 WCLLSKMLECLMRQ-LLVKDONJSA-N 400.243 4.573 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Cc2ccccc2F)c1 408867355 LSASEESDBRIYEN-XDHOZWIPSA-N 402.425 4.676 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)Nc1ccc(Cl)cc1 409002118 SNLRTROFXVHJKL-FOWTUZBSSA-N 410.861 4.784 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc(OC2CCCC2)cc1 8748671 LFLVKCUXKQWTBB-FQEVSTJZSA-N 416.502 4.801 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1 59233125 PPLMZXBZTSQZPN-UNOMPAQXSA-N 402.425 4.959 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59676768 HDIZPRLSBVMYPL-MOHJPFBDSA-N 424.548 4.658 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@@H]2Br 100848765 DLRVFCBBSLTBCI-KCXAZCMYSA-N 401.142 4.977 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OC)c(Cl)c3)c2C)cc1 409063318 KMPJYYVEXLVSNE-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCC 409235279 ONSHWIWFXNIYMT-UYRXBGFRSA-N 412.917 4.793 50 40 HJGB N#C/C(=C/c1ccc(Br)o1)c1ccc(I)cc1 409373643 XFLWOQQWVAZUPD-YFHOEESVSA-N 400.013 4.711 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)c1 5219546 ZZCQGRBHPRRDQD-OAHLLOKOSA-N 413.264 4.610 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 6043552 UHLDYAKWRGCTST-HZHRSRAPSA-N 407.495 4.553 50 40 HJGB O=C(/C=C/c1cccnc1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 24787307 JHHPKXDXFRHTSB-LFYBBSHMSA-N 423.925 4.502 50 40 HJGB COc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1OC 33856991 HGUFNGUUENHSLR-OJLMPMFISA-N 407.495 4.603 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@H]1CCCC[C@@H]1C 408810140 IIWWKENZRMQXLD-XMDNHAFTSA-N 403.320 4.616 50 40 HJGB C/C(=N\NC(=O)COc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408827883 HVCBPWFXBFLBDG-WGOQTCKBSA-N 421.884 4.512 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(F)cc1 408853007 OZCKXZNEKQUBLN-LDADJPATSA-N 417.396 4.859 50 40 HJGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3c(C)[nH]c4ccccc34)c2c1 685568 FMYJMGPJOBZGFX-WYMPLXKRSA-N 402.523 4.884 50 40 HJGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(N2CCOCC2)cc1 4705533 AQQDWMBDMXLSJR-LTGZKZEYSA-N 423.520 4.871 50 40 HJGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(C)cc3)CC(=O)N2C1 4922528 FAWWDEZDNRVYCV-GOSISDBHSA-N 405.523 4.613 50 40 HJGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1c[nH]c2ccccc12 17083161 OEECLEJNECZHEN-MUFRIFMGSA-N 405.461 4.932 50 40 HJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccccc1 408718754 FOJJICUQYTWXSH-OLWSXLNFSA-N 406.526 4.941 50 40 HJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1 409155090 BMPJDZMFLSYVJO-BUVRLJJBSA-N 421.453 4.645 50 40 HJGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl 409322210 LBGIOGSVNRGFLS-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(F)cc1 5894185 DTPJYKLZIHYPFF-WGOQTCKBSA-N 400.457 4.788 50 40 HJGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(C)cc3C)sc2c1Cl 9670730 XZHAGPUMEPVVHF-UHFFFAOYSA-N 423.321 4.908 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 20197333 RAFIJDFHCLGTRP-YZSQISJMSA-N 418.493 4.827 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)cc2)cc1 20197866 MUBPNSWIAQJMNB-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)c1 1258901 XZYDHVJBIDBDFR-XNTDXEJSSA-N 419.462 4.727 50 40 HJGB O=C(N[C@@H](C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 2068666 BEVDRBOYYOCIDX-OAQYLSRUSA-N 418.260 4.560 50 40 HJGB CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 8861734 HDAYREGLZXXIOX-DNTJNYDQSA-N 416.102 4.805 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(Oc2ccccc2)c1 24543991 AYXDDMMFEULHQN-OAQYLSRUSA-N 408.413 4.803 50 40 HJGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccccc1 408883911 XEGFRGWIEOLFNH-WOJGMQOQSA-N 410.389 4.804 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCC 409227114 OXCRAPYDRQLBOQ-OSVNEOKWSA-N 404.510 4.997 50 40 HJGB O=C(CNc1ccccc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409381376 LUYULSHBFPRNRY-MZJWZYIUSA-N 416.912 4.905 50 40 HJGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3c(F)cccc3Cl)c2c1 2140230 PXXGWJLDJNZZIC-AUEPDCJTSA-N 401.894 4.887 50 40 HJGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)SCCS1 5977535 JDRZWJAJCVNKJT-LPYMAVHISA-N 420.987 4.955 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nnc2n1CCCCC2 33745502 VCRYZGIVOAMWGI-VKAVYKQESA-N 412.522 4.983 50 40 HJGB O=C(N/N=C/c1ccc(Br)cc1)c1cccc(N2Cc3ccccc3C2)c1 59503621 CZYUJVRXOQCCJW-ZMOGYAJESA-N 420.310 4.733 50 40 HJGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1Cl 98042446 PVTLWQXNARNRDF-FBHDLOMBSA-N 404.209 4.926 50 40 HJGB COc1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)c([N+](=O)[O-])c1 408691551 DPUHJEREWXENNB-GDNBJRDFSA-N 400.394 4.820 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 408924633 NHWLQAQBDVQMKP-KPKJPENVSA-N 406.225 4.846 50 40 HJGB CN(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 409063393 BCNUSHVIAPPIFJ-MFKUBSTISA-N 407.901 4.749 50 40 HJGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 409072858 LKTBKEPNUOHITN-LGMDPLHJSA-N 402.431 4.660 50 40 HJGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 409132179 NLEZOAYSSMSVII-JOCHJYFZSA-N 419.912 4.649 50 40 HJGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C(O)[C@H](C#N)C12CCCCC2 2311023 DRENTOAFZRELAG-HNNXBMFYSA-N 414.918 4.807 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 33600606 PFDLPZHYIQMFHR-KPKJPENVSA-N 412.858 4.606 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1 409390548 FDYBWJLVQJSKRC-RWPZCVJISA-N 414.484 4.949 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3ccc(C)cc3nc2Cl)C(C#N)=C(N)O1 925148 DSZLHGLQQDIVCG-SFHVURJKSA-N 411.889 4.620 50 40 HJGB C=CCc1ccccc1OCCOc1c(Cl)cc(/C=N/NC(C)=O)cc1Cl 4512355 NJAGZPUYMJLNKZ-YDZHTSKRSA-N 407.297 4.650 50 40 HJGB COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1 4981052 JRXBZLLWECCSQZ-KDTWAZFRSA-N 415.280 4.821 50 40 HJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(C)cc1 5362968 KTMBVSSEDLLYII-OVVQPSECSA-N 400.482 4.873 50 40 HJGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)c(C#N)c1C 8491189 WXDWDZQZCURFFP-BRJLIKDPSA-N 408.889 4.522 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)c(C)c1 20194832 VCAFWJKPXIJWAI-AFUMVMLFSA-N 418.497 4.620 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)c(C)c1 28217557 DZUWFYPDIJCYKS-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 103724022 ZBCKLLNCPMKDQZ-XYOKQWHBSA-N 410.386 4.563 50 40 HJGB CCOC(=O)N/N=C(/C)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118918445 LJXRMMRZNQCIDI-HZCGDJIGSA-N 400.563 4.968 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408590904 RJFXGXUSHKIRMG-BLTFUYFMSA-N 416.308 4.585 50 40 HJGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 408788769 GOPMFPVCUVCDME-CVKSISIWSA-N 403.913 4.662 50 40 HJGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1 408965159 UEQOUNAJRTXLNJ-LGJNPRDNSA-N 415.415 4.885 50 40 HJGB N#CCOc1ccccc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409040832 USXRHNLKMVDBQP-PKAZHMFMSA-N 406.445 4.568 50 40 HJGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3114157 RARAKMITHXCMHA-OVVQPSECSA-N 408.457 4.752 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(OCCC)c1 3174799 KCDKGOFQYLJEQG-DTVDJLOLSA-N 418.921 4.835 50 40 HJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1 9324400 PCAGQLDYXUJHHH-VULFUBBASA-N 400.400 4.950 50 40 HJGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC 9972849 OIWKUUTWOAXGBB-GRRFOWRYSA-N 400.862 4.777 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1 15223731 LLHWJBQONJSQND-ZROIWOOFSA-N 422.824 4.852 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1O 408580609 DCSBQIFCBJKABJ-VGOFMYFVSA-N 404.260 4.635 50 40 HJGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21 408983114 KQHAGEVETHFEOS-WJDWOHSUSA-N 421.884 4.712 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OC 409314114 KFSYZHYYWDLFBQ-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)Nc1ccc(Cl)cc1 2133615 HANWLEZKYJDNGU-UHFFFAOYSA-N 416.692 4.659 50 40 HJGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C(O)[C@H]2C(=O)OC)cc1 9088999 HQTDNIWHNSOFRB-UXHICEINSA-N 422.506 4.597 50 40 HJGB CC(C)(C)c1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17112882 SNVKQKLYNLQNLU-UHFFFAOYSA-N 420.904 4.523 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 32124940 UHLJTEYXBYPZSF-UCQKPKSFSA-N 421.478 4.827 50 40 HJGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C\c2ccc(N(C)C)cc2)c1 32216618 GJXJEZIRTXHJCW-UEYTXEIUSA-N 411.549 4.826 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 59272272 RGUGAWDDZURUHO-LDADJPATSA-N 417.396 4.859 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1 2235498 PXCBOEGTVNOJJC-WGOQTCKBSA-N 411.461 4.683 50 40 HJGB CCCCCCOc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1OC 4187667 OIQLAXMELMNCJG-BUVRLJJBSA-N 418.921 4.837 50 40 HJGB COc1ccc(C(=O)N/N=C(\C)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 6962226 KBMAYUUBXPKTRB-WGOQTCKBSA-N 418.522 4.658 50 40 HJGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1ccc(C)cc1C 13944045 LEDSOFIZMHWEGX-ZVHZXABRSA-N 418.921 4.673 50 40 HJGB O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408729244 YQJAVLOKMCIJMR-MSXFZWOLSA-N 420.856 4.532 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c3ccccc23)cc1 408798765 XCRZRWNONOIFDK-XDJHFCHBSA-N 414.461 4.961 50 40 HJGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408816298 YGKMKFPTWYCYLO-NIHKJWTPSA-N 419.481 4.776 50 40 HJGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408828683 LUKUVAZNBJDXOR-NTUHNPAUSA-N 421.280 4.955 50 40 HJGB COC(=O)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408971403 NXKPTQSLFJSEJY-NKVSQWTQSA-N 407.278 4.759 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1 409005200 DOTIKLVLSZTVPQ-CPNJWEJPSA-N 400.434 4.896 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1C#N)c1ccccc1 409242934 WUVSYOFXBYELSH-YPFLROGLSA-N 407.473 4.922 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OC 409316833 RDEQNSUBSHBAMQ-JJFYIABZSA-N 411.285 4.563 50 40 HJGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3cccs3)CC(=O)N2C1 4412424 NAFVKJZBZSIOGB-ZDUSSCGKSA-N 401.944 4.929 50 40 HJGB Cc1nn(-c2ccccc2)c2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21 4539599 UBKKBYJWYCFUPS-UHFFFAOYSA-N 402.457 4.582 50 40 HJGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)c(C)c1 5543459 INGRHQYEQHGQFJ-AQTBWJFISA-N 400.438 4.856 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1[N+](=O)[O-] 13546328 TVOBCRDFDDYOAQ-WQRHYEAKSA-N 418.428 4.996 50 40 HJGB CCCOc1c(Br)cc(/C=N\NC(=O)Nc2ccccc2)cc1OCC 409006348 IUONLCIPWWFXRQ-BKUYFWCQSA-N 420.307 4.792 50 40 HJGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccccc2C)oc1N1CCCCC1 2300446 ICZRLNDEQSDKSO-LJAQVGFWSA-N 410.454 4.906 50 40 HJGB O=C(CCC(=O)NC1CCCCC1)N/N=C/c1c2ccccc2cc2ccccc12 4474770 HZGXTXQLCVXZLD-YZSQISJMSA-N 401.510 4.672 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 5016937 HKZKEHOLZPIEMR-NTCAYCPXSA-N 405.435 4.878 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C(=O)OC(C)C)c2)c1C 9201606 AKZDSDMWJAUDLK-CVKSISIWSA-N 417.509 4.732 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)c1 13809946 YQMIWRLGFBQIOE-UNOMPAQXSA-N 417.440 4.566 50 40 HJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1cccc(Cl)c1 59459338 QIKZZMQWKYGAOL-SSDVNMTOSA-N 421.722 4.510 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(F)cc3)c2C)cc1Cl 408692490 NORVBKPPAKUQMU-RPPGKUMJSA-N 412.896 4.757 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 408719394 DIEPKTMHFXSPQO-SRZZPIQSSA-N 421.360 4.620 50 40 HJGB CCOc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1C(C)C 408859053 VRGGRVOYYHXNPN-RGVLZGJSSA-N 422.525 4.758 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccccc1Br 408996687 MMPDLTMLJRYTJR-UCQKPKSFSA-N 410.315 4.549 50 40 HJGB COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl 409094694 GEJZRPGHNDGYNS-WJDWOHSUSA-N 411.889 4.503 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)ccc1Cl 409217888 YBFBXNCHXNLBKX-YDZHTSKRSA-N 411.845 4.932 50 40 HJGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 2272651 VPVJZULACBDSAG-NRFANRHFSA-N 423.428 4.697 50 40 HJGB Cc1cccc2c1N=C(O)/C2=N\NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3318440 UUCOXBCRSCIWIA-UHFFFAOYSA-N 421.460 4.583 50 40 HJGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccccc1Cl 408858388 RVLOABHMSOFKCQ-XFXZXTDPSA-N 420.694 4.841 50 40 HJGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC 409194716 QLFCIDZCZUBIOB-GRRFOWRYSA-N 421.335 4.601 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1N1CCCC1 4083494 ZRAAFXXKVBVCOT-GHRIWEEISA-N 410.315 4.903 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@]1(C)C(=O)[C@@H]2Br 11990787 VBZCTPJZVASQHJ-AFAVFJNCSA-N 418.253 4.803 50 40 HJGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 14165921 LPDWDIZBIROCLY-MZJWZYIUSA-N 421.903 4.801 50 40 HJGB CCc1ccc2oc(-c3cc(N4C[C@@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1 45887633 IJLIRIKSNZKGQU-LBPRGKRZSA-N 403.265 4.829 50 40 HJGB Cc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)c1C 58927879 LYGYEJMPBSFYMP-UFFVCSGVSA-N 405.361 4.758 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408742171 NNVWAAWYABRXPG-ZROIWOOFSA-N 415.674 4.660 50 40 HJGB N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408866894 IZYDZQSQWCKYKC-CPNJWEJPSA-N 401.397 4.870 50 40 HJGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 408874023 YRZLQDBJSKORRA-FOKLQQMPSA-N 419.264 4.791 50 40 HJGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCCCCC)c(OC)c1 4412930 CGUPFPUMJKQJRW-KOEQRZSOSA-N 410.514 4.522 50 40 HJGB COc1cccc(OCCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)c1 4672911 PONMRTYREFLRQG-XIEYBQDHSA-N 419.481 4.699 50 40 HJGB CC[C@@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)cc1 4691391 UBFSDNIEGFOIJG-CBOPYVSYSA-N 401.894 4.694 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 8812653 WPHOJOAGPCQYIQ-UFWORHAWSA-N 402.075 4.528 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OCC 59401667 NKKGMUAUFZFHNO-YDZHTSKRSA-N 418.946 4.687 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 59410747 ADYUHZLRKSVFNR-MFKUBSTISA-N 408.885 4.620 50 40 HJGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccc(Br)c1 59473126 HVBBITMYNDRBGK-RCCKNPSSSA-N 405.361 4.840 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccccc2)c1 408756058 QRRIYIUYHIAGIT-JFLMPSFJSA-N 412.411 4.977 50 40 HJGB O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 708597 WKWKWNUVTJIAGX-UHFFFAOYSA-N 408.708 4.983 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3095580 XDPJECYPHQUQIL-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 4116254 KYHRRVQYOMFIOX-ZROIWOOFSA-N 406.423 4.732 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccs2)sc2c1CC[C@@H](C)C2 5996461 LRSFUMMADJVWFY-YGYTWAPGSA-N 400.525 4.657 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(F)cc1 7385354 HOOIEONURZXHBA-WGOQTCKBSA-N 404.489 4.597 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)ccc1OC(=O)C1CC1 17089279 UPWRLQMJSAKOJB-LDADJPATSA-N 412.530 4.639 50 40 HJGB CCOc1cc(Cl)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 2799170 HKQFZJVTHHUXIR-VFNWGFHPSA-N 422.916 4.731 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 59136576 JUHZFZCPWZMQNH-WYMPLXKRSA-N 417.343 4.566 50 40 HJGB COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4cccs4)C3)C2)cc1 100225959 FKNUFCZFMYIGJZ-KLPNFNGSSA-N 423.538 4.782 50 40 HJGB C/C(=N/NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C#N)cc1 6021615 FUZMJAVXBDDTQT-QQXSKIMKSA-N 403.869 4.945 50 40 HJGB C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1cc(O)ccc1O 13321539 MJQAYNCSLPUGGC-JVWAILMASA-N 411.461 4.775 50 40 HJGB CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)P2(=O)Cl)cc1 104050043 VRKMLMFPYPSMEQ-UHFFFAOYSA-N 420.925 4.873 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)nn2-c2ccc(C)cc2)cc1 408724170 GYFBFLQMDJCDDC-WGOQTCKBSA-N 410.477 4.626 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 409142417 LGILEFFIIWUZDL-OAQYLSRUSA-N 406.869 4.734 50 40 HJGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1 664289 KCMNTSNAUQZSIK-HXUWFJFHSA-N 402.523 4.791 50 40 HJGB Fc1c(F)c(C(F)(F)F)c(F)c(F)c1C[C@H](Br)CBr 103535280 AHTPPTHIVBKMAO-VKHMYHEASA-N 417.944 4.963 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)c1 408793182 DFNCFOKFIGNCHX-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccnc3)cc2Br)cc1 408911556 NWKPUQASHVTVGF-SRZZPIQSSA-N 416.300 4.661 50 40 HJGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409030860 FMCDYHBRXPJOGG-WGOQTCKBSA-N 409.445 4.591 50 40 HJGB C#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409037183 SKKSRFIFVJXEDW-IMRQLAEWSA-N 405.457 4.678 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OCC 3660919 UDNPQNAVKFAFNG-YDZHTSKRSA-N 418.946 4.687 50 40 HJGB Cc1c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(Cl)nn1-c1ccccc1 4545236 KIFPBXWXETXPAR-DXRSZSRVSA-N 412.946 4.606 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1 4815551 WAWOSOPPMDYXRF-FBCYGCLPSA-N 402.075 4.534 50 40 HJGB Cc1cccc(NCC(=O)N/N=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1 4869698 WDDUTYGOKYNIET-NTFVMDSBSA-N 410.521 4.869 50 40 HJGB CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C#N)=C(c2ccccc2)O1 5325422 JVXYKFLFIFCHJD-QFIPXVFZSA-N 417.461 4.506 50 40 HJGB O=C(N/N=C/c1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2)CC1 5648987 CWLICOACXMGGPV-WGOQTCKBSA-N 405.929 4.856 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1 9015340 INVXOOSKVGSORX-SSDVNMTOSA-N 403.269 4.546 50 40 HJGB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NNC(=O)c1ccccc1Cl 13098588 MWKRFAIOHQQVLP-UHFFFAOYSA-N 415.880 4.938 50 40 HJGB CCCC[Sn]1(CCCC)OO[C@@H](c2ccc(OC)cc2)O1 195999453 ZKEFQRDQEWKFIL-CZDIJEQGSA-M 401.091 4.715 50 40 HJGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)cc1OC 408582138 MCEADYDDDJGLIY-XMHGGMMESA-N 421.474 4.536 50 40 HJGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(Cl)c1 5944187 QFZXBHUJEGANHN-FBHDLOMBSA-N 404.209 4.926 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 28215902 MATYQBBYFUNVON-AFUMVMLFSA-N 421.566 4.795 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC#N 408790452 WJDPHRNVCXWSNR-VGOFMYFVSA-N 416.264 4.758 50 40 HJGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c3ccccc32)c1 408964179 BONQILGCNLWWDY-CCVNUDIWSA-N 410.452 4.773 50 40 HJGB Cc1c(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)sc2ncnc(N)c12 408973700 PITOPWXTUOEYJR-LUOAPIJWSA-N 411.490 4.652 50 40 HJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1 409199625 CDSXYIPQHMVIDY-HMAPJEAMSA-N 412.493 4.651 50 40 HJGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1 3202860 CIRJRRDCVYNNKM-OEAKJJBVSA-N 424.298 4.687 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1F 59306250 QZWYGAHGGBFFGB-BKUYFWCQSA-N 416.452 4.637 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408776806 ZIDROAMAJDBWQQ-MFKUBSTISA-N 418.518 4.598 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 409202728 UKHYNEGLQBZINY-NHDPSOOVSA-N 415.858 4.751 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)ccc1Cl 409317250 SZQKIGIXEYQUBJ-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCCOc1ccccc1 4673545 DUOSCYVJSXCNCK-CAPFRKAQSA-N 420.509 4.509 50 40 HJGB N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 9008777 VTBDEIMMLPSWSX-SDNWHVSQSA-N 416.418 4.801 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Br 20195420 IGPRIUBNIBHGMB-LPYMAVHISA-N 403.320 4.548 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC 408791459 XUZYTJSSGILAAG-RIYZIHGNSA-N 415.833 4.591 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)cc2c1 409187417 QDMPCZFHADUICV-CFRMEGHHSA-N 418.405 4.554 50 40 HJGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)cc1 948755 QTSIKABOFYDZCO-XMHGGMMESA-N 400.409 4.899 50 40 HJGB Cc1ccc(N2CCN(C(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)CC2)cc1 951019 NVIQSNIPIFWTDD-CAPFRKAQSA-N 415.468 4.650 50 40 HJGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccccc1 4739486 QNQZWQCNFQWMDK-JVWAILMASA-N 417.509 4.535 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 20764661 QYIABZLEJKBDSE-WGOQTCKBSA-N 418.493 4.745 50 40 HJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cccc1[N+](=O)[O-] 28217465 AXACAPYHPFQZDK-FSJBWODESA-N 410.861 4.728 50 40 HJGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccccc1 107849175 MLSOJBNGIYWZTI-QRVIBDJDSA-N 418.478 4.981 50 40 HJGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)COc3cccc(Cl)c3)cc21 208458332 CXLOAICVNMITHL-MXAYSNPKSA-N 411.933 4.809 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)c1 408987614 BKJQGGGUOCWOLJ-SFQUDFHCSA-N 416.462 4.995 50 40 HJGB CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1 2052889 QBXRWLSJTJIWTM-OEAKJJBVSA-N 411.299 4.694 50 40 HJGB CCOc1ccc(Br)c(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1 2101747 WIGSWUVFSMMGPV-WSDLNYQXSA-N 419.319 4.500 50 40 HJGB CC(C)c1ccc(S(=O)(=O)/C(C#N)=C\Nc2ccc(OC(F)(F)F)cc2)cc1 2561509 AGOMVWPQERUZSU-PDGQHHTCSA-N 410.417 4.959 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccccc1Cl 4177316 YDQZXLRLJRRZDS-QFIPXVFZSA-N 404.853 4.843 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccco1 6335948 XPYUEICGDKGLNI-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccnc1 10039459 SITHIHSTNWQPMC-BHGWPJFGSA-N 400.265 4.731 50 40 HJGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccnc1 32116947 HTJGRKXWVHMGNZ-MYKKPKGFSA-N 400.265 4.731 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1O 43079570 BMJPSSKBFVWKMD-NVNXTCNLSA-N 415.287 4.716 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/[C@@H]3COc4ccccc4C3=O)n2)cc1OC 44827437 XZOOBTRVTMAOBS-HTRKUNOGSA-N 418.474 4.626 50 40 HJGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408866408 HFGDGOOSPTUXFN-NGOZZTLQSA-N 400.862 4.575 50 40 HJGB N#CC(C#N)=Cc1ccc(SCC(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 408991380 NPUZWCLQJNDMAI-UHFFFAOYSA-N 414.446 4.909 50 40 HJGB O=C(CNc1cccc(Br)c1)N/N=C/c1cccc(Oc2ccccc2)c1 3086592 IRPZXTWSWDTVMU-ZVHZXABRSA-N 424.298 4.804 50 40 HJGB N#C[C@](Br)(c1nc2ccccc2[nH]1)[C@H](Br)c1ccccc1 5642610 AOFZPODPWSJDJT-GDBMZVCRSA-N 405.093 4.813 50 40 HJGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Oc3ccccc3)cc2)cc1 9060940 ZRGQKTMWSHDNTN-CJLVFECKSA-N 406.463 4.738 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 800309 HPBULZBTBNFWBD-SFHVURJKSA-N 400.356 4.780 50 40 HJGB O=C([C@@H](Br)[C@@H](Br)c1ccccc1)N1CCCc2ccccc21 1801207 AHKJJLSEHAGTSQ-IRXDYDNUSA-N 423.148 4.866 50 40 HJGB O=C(N/N=C/[C@]1(c2ccccc2)CC1(Cl)Cl)c1cccc(Br)c1 2313590 CZBMDCRLDIPKEJ-XYHOIZSOSA-N 412.114 4.680 50 40 HJGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2682628 OLOAKZFIHDNMEV-CJLVFECKSA-N 404.473 4.902 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1 7384411 ANOHYINPMHMZAC-BUVRLJJBSA-N 418.453 4.527 50 40 HJGB CC(/C=N\NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)=C/c1ccc(C(C)C)cc1 15931152 PLVPTDWDAXPPEJ-KZGLTJNKSA-N 422.485 4.642 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)cc1 20197884 BMYOEDPURDCYSX-WGOQTCKBSA-N 406.457 4.957 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCCC)c(OC)c2)cc1 20197927 YJYMVFMSYORFDO-OEAKJJBVSA-N 404.894 4.690 50 40 HJGB O=C(CSc1nc2ccccc2nc1-c1ccccc1)N(CCCl)CCCl 100983131 DTFXCVZTBQFUFZ-UHFFFAOYSA-N 420.365 4.695 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O 104129854 VAGDXIGJDOTJTL-QQXSKIMKSA-N 411.461 4.770 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)ccc1N1CCCC1 408853163 YWGLNUROFAYVIJ-SFQUDFHCSA-N 410.315 4.903 50 40 HJGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccncc1 688017 PBHJVIJBWUJRCT-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB O=C(N/N=C\c1cc(Br)ccc1O)c1cc2c(ccc3ccccc32)o1 16526108 RFJIYRBBALTPGI-JJFYIABZSA-N 409.239 4.818 50 40 HJGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59922046 WWTLANFFNWPRGI-OGLMXYFKSA-N 409.489 4.981 50 40 HJGB CCCC[P+](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC 98174903 YQDVQWBUJQGJER-UHFFFAOYSA-N 409.486 4.806 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408534564 WAXLNWOQEFWEOB-VULFUBBASA-N 407.901 4.790 50 40 HJGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 408787094 RBUSLVUWTTZCBB-SGWCAAJKSA-N 411.549 4.983 50 40 HJGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 408997436 OQDQTOPMNFIUQJ-OEAKJJBVSA-N 410.315 4.549 50 40 HJGB CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c2c1 409008118 UDICHPWSLWYTLU-JFLMPSFJSA-N 419.525 4.816 50 40 HJGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)[C@@H](O)c1ccccc1 4505829 WZMINRBWUBGPQE-UVJNWHRFSA-N 408.845 4.645 50 40 HJGB N#C/C(=C\c1c(F)cccc1Cl)S(=O)(=O)c1ccc(Br)cc1 8201617 QAMFRVDHBBDPEA-XYOKQWHBSA-N 400.656 4.580 50 40 HJGB COc1ccc(-c2c(C)oc3c(C)c(OCCBr)ccc3c2=O)cc1 13628723 GZDZALWVEYBKKI-UHFFFAOYSA-N 403.272 4.859 50 40 HJGB biogenic COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c32)cc1 17092180 VINVMGCCVGCCNJ-JOCHJYFZSA-N 420.472 4.970 50 40 HJGB C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(NC(=O)c2ccccc2Cl)cc1 17092827 MSFAOUCGUSYCEQ-CVKSISIWSA-N 421.884 4.760 50 40 HJGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(Br)c2c(c1)OCO2 96663533 OTACVSWREFZIGY-MLPAPPSSSA-N 409.239 4.757 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC 207815884 OKTQSMOLXGREBT-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408790236 OCXAMYGFZNWKFG-KPKJPENVSA-N 421.678 4.665 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccccc1 409171899 DATOSTBEBGZTRB-WPWMEQJKSA-N 416.521 4.974 50 40 HJGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 5531465 NQSBTNGCQXLZBE-GCYXGZDWSA-N 403.718 4.983 50 40 HJGB Cc1cc(C)nc(NNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)n1 8724849 MJXARXSWYJWULA-UHFFFAOYSA-N 409.902 4.780 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 9233528 VYYQQVHLKUWDJT-QFEZKATASA-N 424.884 4.700 50 40 HJGB C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 13964062 ROJRSRCOTICZAR-UAVHQICVSA-N 403.526 4.849 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N 58962519 XOBANLSUUWINSD-GXDHUFHOSA-N 413.387 4.929 50 40 HJGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 59474319 ZQXFSLOXXJIDOP-FSJBWODESA-N 423.494 4.855 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 409012644 RAZBRSBESSPXCV-QFEZKATASA-N 412.530 4.525 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)c1 409044377 CJVZHPKCFHPRJC-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOc1ccccc1NC(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409186929 JSMPFKSSLJPACA-XKZIYDEJSA-N 421.482 4.861 50 40 HJGB O=C(N/N=C/c1cccc2cccnc12)c1ccc(COc2ccc3c(c2)CCC3)o1 1083407 GRVICSNPKXYTFJ-JFLMPSFJSA-N 411.461 4.659 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 1102800 SRLQMPYMPUIQAS-ZVHZXABRSA-N 420.925 4.947 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2341392 NAJZAUNVBHLNJV-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB COc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 3025025 NELGDAAKRNTVAG-BUVRLJJBSA-N 423.310 4.740 50 40 HJGB N#CC1=C(N)N(c2ccc(Cl)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31817647 BUZQACOMZQNWEA-OAQYLSRUSA-N 415.884 4.521 50 40 HJGB O=C(NNc1ccc(F)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 46334084 JMOLJUISSZJMOI-UHFFFAOYSA-N 405.260 4.953 50 40 HJGB N#Cc1ccccc1COc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1 58313716 CLOXZBBICDQXJF-UHFFFAOYSA-N 411.383 4.913 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1cccc(F)c1 59334886 ROIMTTWGWJCDQW-NDENLUEZSA-N 408.473 4.527 50 40 HJGB N#CC(C#N)=C(C#N)c1ccc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)o1 101002717 XODVPUPFENBDBG-UHFFFAOYSA-N 412.474 4.836 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)nn2-c2ccccc2C)cc1 408726754 TZKUUDOSQVNMNB-WGOQTCKBSA-N 410.477 4.626 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)o1 408803804 APPCXVKTBUWNFR-YAJBTMAUSA-N 401.422 4.948 50 40 HJGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408926758 YFTDGNXEOWZMHT-KPKJPENVSA-N 406.225 4.846 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408964872 IDRLEDAZKFYLIX-CIAFOILYSA-N 407.407 4.849 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1 408966328 ZWJPXCCNOXKUPX-BRJLIKDPSA-N 416.355 4.516 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 409134808 QIYIFIMLXRHKOV-QFIPXVFZSA-N 422.843 4.982 50 40 HJGB CCc1ccc(/C=N/NC(=O)CSc2cc(C)c(Br)cc2C)cc1 3237050 CXUHEMVPIMDNIK-SRZZPIQSSA-N 405.361 4.871 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccncc1 6241418 NCVJKSRGXRWBHH-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB Cc1n[nH]c2c1[C@H](c1cn(Cc3ccc(Cl)cc3)c3ccccc13)C(C#N)=C(N)O2 17090432 QVTREQIRNRPLDC-NRFANRHFSA-N 415.884 4.593 50 40 HJGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(F)c2)/C(=C\c2cccc(F)c2)C1 20029558 NSTVBYMDXUKRPG-ASDHTPKVSA-N 419.475 4.836 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 59410763 NCENUVPEPXBBQP-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB O=C(O)Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100575451 QETRLYIXBIRUFN-UHFFFAOYSA-O 411.461 4.808 50 40 HJGB in-vitro CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccccc1 217712198 WGHWXUZJWXQRHT-UHFFFAOYSA-N 416.642 4.648 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1cccc(C)c1 408776097 UDBWVDPPZOUFFC-XKZIYDEJSA-N 404.510 4.743 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)c(Cl)c2)cc1OCC 409319032 ZHKPZBPROZHXCX-IWIPYMOSSA-N 416.905 4.856 50 40 HJGB O=S(=O)(O[C@@H](c1ccc(Br)cc1)C(Cl)Cl)c1ccccc1 3214619 DFVJWHYMWZVZAM-ZDUSSCGKSA-N 410.116 4.699 50 40 HJGB CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1 6273784 GHRBIWHJXWMDBV-ATVHPVEESA-N 412.873 4.851 50 40 HJGB Cc1ccc(OCC(=O)N/N=C\c2cc(Cc3ccccc3Cl)ccc2O)c(C)c1 30843693 ABCSSGVJSZSQFP-WGARJPEWSA-N 422.912 4.782 50 40 HJGB Cc1cc(C)n([C@H](CCl)CN(Cc2cccc(C#N)c2)Cc2cccc(C#N)c2)n1 69630988 VXSMPHBDAKAWFE-XMMPIXPASA-N 417.944 4.726 50 40 HJGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)C(=O)NCc1ccco1 98087043 DBOOKVVXSODREE-JLHYYAGUSA-N 407.476 4.857 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)c1 408756309 PVXSDYWWXRXQQL-TWNMGODISA-N 420.520 4.610 50 40 HJGB C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 409017672 VNRURKQTKLYCKK-FOKLQQMPSA-N 407.297 4.780 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409385266 INDVPURSAMQZQY-ZROIWOOFSA-N 410.817 4.604 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Br)c3)C2)[C@@H]1c1ccccc1 2323010 VRYSDWRFYZMGQX-MGPUTAFESA-N 421.294 4.658 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 3109507 WWOLWJOIMCZWNE-LPYMAVHISA-N 406.935 4.770 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12 5921865 LGQHKJUABOQGKT-HSZRJFAPSA-N 408.461 4.561 50 40 HJGB C=CCSC1=C(C#N)[C@@H](c2cccnc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9136567 GYMCHSZTZYFPMZ-HXUWFJFHSA-N 422.941 4.989 50 40 HJGB COc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1 9261650 CEARGPZKLJIVNW-NTCAYCPXSA-N 422.282 4.794 50 40 HJGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccccc1 36084684 FOJJICUQYTWXSH-SWSSQJLLSA-N 406.526 4.941 50 40 HJGB C/C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)=N\NC(=O)c1cccs1 100851777 ANNRWOGZFXICDL-LSFURLLWSA-N 403.813 4.555 50 40 HJGB CC1=C[C@H](C)[C@H]([C@@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 102667929 JAPABBMFYHDZMU-DDOAZUFRSA-N 423.537 4.897 50 40 HJGB Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1 408911723 CQUPCTHVVGOLHR-CFRMEGHHSA-N 404.470 4.565 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1 409193407 JWFVLUJHSXRLSQ-WYMLVPIESA-N 406.825 4.932 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 409217736 AVVLBOZNTXPJKF-CFRMEGHHSA-N 413.260 4.977 50 40 HJGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4778805 NLPJOBRHDXPQLN-SGMWPGOQSA-N 421.453 4.897 50 40 HJGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 5360899 YHDHNBHJNMLKIX-UFWORHAWSA-N 402.075 4.528 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c(Cl)nc2c1 6182388 OZGUGNGHROHNSX-WYMPLXKRSA-N 405.841 4.520 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 408729453 FJZQGVDPKSZKNZ-JFLMPSFJSA-N 413.521 4.986 50 40 HJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409086538 ZZRIJZDNLNQLPW-AUEPDCJTSA-N 417.248 4.675 50 40 HJGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C)cc4)CC(=O)N3C2)cc1 6803938 JAJIYIXBFXIPJF-HXUWFJFHSA-N 405.523 4.613 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC 33853790 ZJBPCXJRYQZXBG-NVNXTCNLSA-N 402.244 4.619 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 59473727 ZBQPFLZDWWMBMW-BUVRLJJBSA-N 406.507 4.760 50 40 HJGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(F)c(Oc2ccccc2)c1)OCO3 85408839 AYTRRCACJQOAJJ-JOCHJYFZSA-N 402.381 4.565 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)oc12 408970229 CZAZRZGUNZZGRW-FSJBWODESA-N 419.393 4.682 50 40 HJGB C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857794982 CQTCXERPVMMUIR-WHLCRQNOSA-N 409.535 4.558 50 40 HJGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 1209429 SNRXNFHPVUVHCK-FSJBWODESA-N 412.287 4.580 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 6339571 XAWWDCNLTVZKNZ-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 13546327 DSWJQMGIQWJVIU-BOPFTXTBSA-N 404.401 4.687 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1O 59117281 OZGGPADDMMSQEY-KPKJPENVSA-N 421.678 4.752 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc2ccccc2c1 408598983 MUPYZLLSFRSOTN-ZMOGYAJESA-N 403.369 4.911 50 40 HJGB O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc2ccccc2c1 408952246 LSZWLIWTFJLJJE-DJKKODMXSA-N 422.076 4.722 50 40 HJGB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409000772 XUZQGHINSLFWEI-QHCPKHFHSA-N 417.509 4.807 50 40 HJGB COc1cc(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C(C)C 2288056 MEBRRAWOOMFKQM-WPWMEQJKSA-N 416.521 4.513 50 40 HJGB CC(/C=C/C=C/c1ccccc1)=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1 4866911 KHRMVZDQECOCPS-VTVVOISCSA-N 404.510 4.886 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)cc1 5713411 IWFZZCNZALXAAA-SQFISAMPSA-N 402.406 4.589 50 40 HJGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 34903414 WMXHCPGRMWJTIW-QFEZKATASA-N 424.884 4.700 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCc1ccccc1 35569010 DSGJKDWGZKMDCE-ATVHPVEESA-N 407.267 4.932 50 40 HJGB N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12 40139924 QGMQBFKCLCGLCF-SDQBBNPISA-N 401.319 4.598 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(F)cc1 408793106 NKNPRRLEZRNIQQ-LDADJPATSA-N 418.424 4.665 50 40 HJGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1[N+](=O)[O-] 409238797 NUYSZEDNHBBMES-BKAYVGFPSA-N 401.422 4.948 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl 409241743 ULOVWIAPUGUNDG-PDGQHHTCSA-N 413.304 4.661 50 40 HJGB CCOc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 3144655 AGMMBCHPJZTCSC-TURZUDJPSA-N 424.500 4.625 50 40 HJGB C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1 4656752 XVKPZRGREMIJTE-HZHRSRAPSA-N 411.299 4.830 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 8082367 XPRSVYPIDVSRIC-WSDLNYQXSA-N 413.817 4.671 50 40 HJGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 9291773 CVJOLACCXOLQLL-SAPNQHFASA-N 419.444 4.736 50 40 HJGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 20131311 JUOYKJMECKLSCW-FUAYJARZSA-N 419.475 4.836 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)c1C 408848324 TZHCGYMBDATLOL-CFRMEGHHSA-N 402.406 4.552 50 40 HJGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(OC)cc1 409015589 SPNXPZHYQKQZBX-IWIPYMOSSA-N 408.523 4.880 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 409142415 LGILEFFIIWUZDL-NRFANRHFSA-N 406.869 4.734 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)ccc1OC 409332735 HWYOWHFHNAIESW-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 2535319 YBXLVDSYFKMUDN-LYNSCVAESA-N 421.928 4.516 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccco2)cc1 2750195 BTCOBFGIIXODBY-PCLIKHOPSA-N 414.465 4.685 50 40 HJGB O=C(CCCC[C@@H]1CCSS1)N1CCC(O)(c2ccc(Cl)cc2)CC1 79480313 TZCAAJSSNFICFM-QGZVFWFLSA-N 400.009 4.864 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 408744677 ZFWZHDBDYIKCED-PDGQHHTCSA-N 416.437 4.557 50 40 HJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br 408773160 TVFXVSFYVAFGOM-DHDCSXOGSA-N 415.287 4.791 50 40 HJGB N#C/C(=C/c1ccsc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 4815320 AUPXDBGDEVKATA-ACAGNQJTSA-N 407.432 4.950 50 40 HJGB N#C/C(=C/Nc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 6333257 XQYNKLIRPQXQRM-LCYFTJDESA-N 404.772 4.749 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 9075335 AVVCGMMKWPMLGW-UUASQNMZSA-N 422.462 4.629 50 40 HJGB COc1cc(/C(C)=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 59489091 CBBVCNWXEGQSIW-PCLIKHOPSA-N 404.466 4.533 50 40 HJGB C/C(=N\NC(=O)c1sc2nc(C)cc(C)c2c1N)c1sc(C(C)(C)C)nc1C 98042574 NIKUTXPWMGKCRZ-WYMPLXKRSA-N 415.588 4.712 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cccc(C(=O)O)c2C)o1 100388836 VRRFOVSRBPDTDI-NVMNQCDNSA-N 422.444 4.962 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(Cl)c1 409054940 WPEBZFIEOBQJAM-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(F)cc1 409070219 YEGXCSHIMOKMTD-CPNJWEJPSA-N 416.408 4.649 50 40 HJGB COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N 2332578 FRXSZSGIURKSFD-QGZVFWFLSA-N 411.914 4.568 50 40 HJGB CC[C@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2cc(Cl)ccc2O)cc1 4691392 UBFSDNIEGFOIJG-NYATXJBFSA-N 401.894 4.694 50 40 HJGB Cc1c(Br)cc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)c1C 6469826 PKBMDZWVWXEGNY-UHFFFAOYSA-N 411.299 4.602 50 40 HJGB CCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 6965210 RFOLFAXFXJKZAJ-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB CC(C)c1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1)C(C#N)=C(N)O2 9008235 XZIXFZAHGAQNGL-LJQANCHMSA-N 420.900 4.984 50 40 HJGB CCCn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9204929 UOIGIEAGQCFNPN-OEAKJJBVSA-N 412.331 4.815 50 40 HJGB COc1ccc([C@H]2[C@@H]3C[C@@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19851629 HIMCHXQWQSFCCM-KWOQKUFVSA-N 406.489 4.683 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCC#N 408792905 BYKVCPWNVJMXOF-LICLKQGHSA-N 409.873 4.804 50 40 HJGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1 409141421 JQPUBXMSZBRESX-RGVLZGJSSA-N 412.298 4.675 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc(Cl)cc1 409213517 UEYGRBSRCSYXNA-ZVHZXABRSA-N 408.910 4.748 50 40 HJGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Br)c1)c1ccccc1 409246179 GBLNKFDZQARPSO-DKTFCQPKSA-N 405.679 4.592 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccnc1 708307 HTJGRKXWVHMGNZ-BHGWPJFGSA-N 400.265 4.731 50 40 HJGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 4045406 QOIUXASEXFXNLT-RPPGKUMJSA-N 417.387 4.536 50 40 HJGB COc1cccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 4794836 VEMBNCIFLNBRCI-NTCAYCPXSA-N 401.447 4.902 50 40 HJGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 5494556 BTQLAUGRBCXOSM-YSURURNPSA-N 404.219 4.965 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1Cl 5512880 BOMJGIHBMMLUKU-WSDLNYQXSA-N 400.887 4.753 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)o1 408590315 OWOZWBWBABLRDH-SRZZPIQSSA-N 400.276 4.522 50 40 HJGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408799767 KVHFJCTWVVPFCL-XWAFYUISSA-N 406.555 4.728 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 409362190 IDADEFXFLIRJMN-FSJBWODESA-N 411.845 4.818 50 40 HJGB CCCC/C(=N\NC(=O)c1cccc(I)c1)c1ccccc1 12419325 CGWPCZGRJFQGTM-LVZFUZTISA-N 406.267 4.616 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Br)c2O)c1 16693251 KIWMUGAMWNSATD-SDQBBNPISA-N 421.678 4.752 50 40 HJGB O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 408850952 GZIDVYXYBOZCLZ-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB O=C1C(Br)=CC(c2ccccc2)(c2ccccc2)C[C@H]1Br 1667905 ZIYLUGKYMKDFEX-MRXNPFEDSA-N 406.117 4.988 50 40 HJGB CC(=O)C1=C(C)NC(SCc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 8411698 HEQJFALSGOXFKR-NRFANRHFSA-N 423.469 4.952 50 40 HJGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2OC)cc1OC 34718096 NSMXUYOGAXKLSX-QGNWGPJTSA-N 405.882 4.690 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc([N+](=O)[O-])ccc1O 59433222 CNNVUCDXXVVVCW-ZVBGSRNCSA-N 420.208 4.631 50 40 HJGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 59473426 NRKGPOGIBHJITE-MFKUBSTISA-N 418.518 4.671 50 40 HJGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2C(C)=CC1(C)C 208504338 HKFYMBFVRNMZSP-QFEZKATASA-N 411.933 4.891 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1 408743879 HWFJQYHMOSYSIO-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB Cc1cc(NC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)ccc1Br 408905297 WTJWFZVPOSEVFY-HMAPJEAMSA-N 415.335 4.903 50 40 HJGB O=C(NNc1c(F)c(F)c(F)c(F)c1F)C(O)(C1CCCCC1)C1CCCCC1 2208667 BTPRSERBTAWQTB-UHFFFAOYSA-N 420.422 4.717 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 59473046 UJBZYPBRRITTIF-KOUDTOEKSA-N 404.919 4.544 50 40 HJGB COc1cc(Cl)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 66202167 SGZGXAFAKNFZNY-MFKUBSTISA-N 408.885 4.639 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1 5176138 IGZUDORSIAHEFJ-OAQYLSRUSA-N 408.461 4.847 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 5620983 MMSMPUDGSBSHKH-VHEBRAQUSA-N 403.507 4.644 50 40 HJGB CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1 9015026 QLDFEMXAAVCACW-SSDVNMTOSA-N 403.269 4.546 50 40 HJGB COc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)c1 9187308 KXEGTLOGAQSXGX-QGOAFFKASA-N 424.460 4.653 50 40 HJGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(N)=O 16525788 DTDIDXCNLZNJLQ-LFIBNONCSA-N 407.267 4.574 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 408599143 PIAGQBRAPKMPAG-LPYMAVHISA-N 402.336 4.577 50 40 HJGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N 408753083 LHDCGSKDSKQORQ-VYYZRVIZSA-N 411.490 4.639 50 40 HJGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2o1 408845076 FBYWZGWWGGXBHC-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408965741 XLYNLFMOHNTRHZ-BRJLIKDPSA-N 424.806 4.533 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1 1912650 HMXMDJYXAOYTGE-XSFVSMFZSA-N 406.482 4.834 50 40 HJGB Cc1ccccc1OCCCOc1ccccc1/C=N/NC(=O)Nc1ccccc1 4614974 LQGYGVUUYVKSLY-XIEYBQDHSA-N 403.482 4.999 50 40 HJGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc2c(c1)CN(c1ccccc1)C2 83329160 PFTTXXKXVRDYGA-DICXZTSXSA-N 407.473 4.830 50 40 HJGB N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100843721 LCDNFJBSMCDLGK-XFXZXTDPSA-N 411.374 4.742 50 40 HJGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1 408708946 VOQUNRNQQODYJI-DHRITJCHSA-N 424.863 4.620 50 40 HJGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409368007 LINKEMZXGWDMIZ-OAQYLSRUSA-N 405.498 4.842 50 40 HJGB CCCS/C(N)=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104476317 WPCZASCBFIPLRE-VHXPQNKSSA-N 403.511 4.775 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408808213 FAEJLBADVADWSX-RVDMUPIBSA-N 415.287 4.792 50 40 HJGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1O 842720 NEFIPXIZRZHQJX-SFHVURJKSA-N 423.266 4.535 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)nc1 1106792 NNMBEDXMLQKDKT-RPPGKUMJSA-N 400.404 4.580 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 1828699 HPMZHNXDLSMAEH-LQKURTRISA-N 410.521 4.869 50 40 HJGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1cccnc1Cl)c1ccccc1 2364993 LHPAYWTXWAWHOY-UHFFFAOYSA-N 417.937 4.525 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 8812367 QYNVVZQYNJRVGT-DHRITJCHSA-N 412.848 4.831 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 12653195 VJGLIYQCQCELBZ-KEDHHMKHSA-N 411.380 4.903 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccncc1 83297219 UCCBJPKWTWWZIY-MSXFZWOLSA-N 400.265 4.731 50 40 HJGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1cccc(C(F)(F)F)c1 408964819 SNMJFAWKZZBLHY-QPSGOUHRSA-N 421.600 4.591 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 409206574 POFPSVFIJXJIOD-YYHBXHNPSA-N 403.869 4.676 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc(F)c1 409221471 QTOQGZQXIOASNN-JCMHNJIXSA-N 401.485 4.889 50 40 HJGB CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1 409239491 NTZRJRACYUVVQZ-PKAZHMFMSA-N 420.532 4.772 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(C)cc1 4723077 GNADJRCHKSHTPS-KGENOOAVSA-N 404.510 4.939 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1OC 5288830 PTJBWLAGKXHQRD-XHOYQDIRSA-N 414.505 4.550 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 6813163 QQQGMMRLSKWBCO-GOSISDBHSA-N 408.914 4.882 50 40 HJGB N#C/C(=C/c1cc(Br)c(I)o1)c1ccccc1 15013359 ONCYCHDYDVDHFO-POHAHGRESA-N 400.013 4.711 50 40 HJGB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)C(=O)NCc1ccccc1 33408329 IHYHOIFIMKRKSO-WJDWOHSUSA-N 411.292 4.711 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Br)c2)cc1 408745227 QKEAIYYNQYITOX-GHXNOFRVSA-N 421.678 4.752 50 40 HJGB C=CCn1c(C)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21 408910484 WULOWKGYEVAWLU-QRVIBDJDSA-N 402.410 4.554 50 40 HJGB COc1cc(C)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1C(C)C 408948381 FWKCETRFXPGJAA-NDENLUEZSA-N 401.510 4.874 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 6155236 OMTLVLTXOQLNCG-ZMOGYAJESA-N 412.873 4.673 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 6597615 YSMSXJJVOKCYQD-MFKUBSTISA-N 420.465 4.569 50 40 HJGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 9075748 DDTFFNWPEQFJCE-OVCLIPMQSA-N 423.450 4.808 50 40 HJGB O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2cc(Br)ccc2o1 32136074 VBTBVLPRGGQRTJ-AFPJDJCSSA-N 411.177 4.978 50 40 HJGB COc1ccc(/C=C(\C(=O)c2cccs2)N2C=CC=CC2=C(C#N)C#N)cc1OC 34913728 WUTNOWJWYHWAFY-XDHOZWIPSA-N 415.474 4.676 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 35363490 FZKUWEXPBYJKMF-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB COC1(OC)[C@H]2C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@@H]2c1ccccc1 104086297 VHGYJUMOIKJSEC-KLTVKPSUSA-N 412.538 4.833 50 40 HJGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 408583003 QSAHSAXWFGKCOM-XSFVSMFZSA-N 414.461 4.785 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(N2CCCC2)cc1 408677384 QCDJWRCPJXGMPG-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)CSCc2ccc3ccccc3c2)cc1OC 408725765 HLOSCYXUCAKRCZ-LFVJCYFKSA-N 408.523 4.631 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc1Cl 408848401 UOVCCUQTONSHHP-MSXFZWOLSA-N 422.824 4.897 50 40 HJGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 2708585 ZRHUVZLGCKLOLK-NTCAYCPXSA-N 407.539 4.569 50 40 HJGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2)c1 16310932 AVBRXZUEUBRNOE-NLRVBDNBSA-N 417.534 4.880 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 20197461 LLIPGFJZUCAHGA-OEAKJJBVSA-N 407.426 4.716 50 40 HJGB CC/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 408720194 VRQYUIMZQRKJOG-OQKWZONESA-N 404.919 4.524 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C 408746035 WQTILXCSZVZQSZ-ZHZULCJRSA-N 413.477 4.735 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409355630 DOZNSZUTUCCAQC-YSURURNPSA-N 406.244 4.955 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(OC)c1 107772601 XZFOJUPFQHCFBO-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408790273 OPDUQVPWICSJRO-RIYZIHGNSA-N 419.264 4.724 50 40 HJGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408911230 JNFAQEBGAUYONK-VULFUBBASA-N 406.457 4.551 50 40 HJGB CCc1ccc(OCCCOc2ccccc2/C=N/NC(=O)c2ccccc2)cc1 4592285 CJYVKKRTMBRTQW-LGUFXXKBSA-N 402.494 4.861 50 40 HJGB O=C(N/N=C1/C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21)c1ccccc1 4748803 PKIWRWABRGQGJX-XLVZBRSZSA-N 416.480 4.738 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)o1 19824555 IVZIFLIUJOJJIB-VCHYOVAHSA-N 422.444 4.742 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(N)=S 408544304 VGLMPNTUFWPCDR-NTUHNPAUSA-N 407.720 4.875 50 40 HJGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4F)c3C)ccc21 3181775 BEQOUQQVPTXDNM-VULFUBBASA-N 417.488 4.675 50 40 HJGB CC(/C=C/c1ccccc1)=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1 8780687 IVCFASHCDUYGPJ-MPKIFBOJSA-N 423.314 4.513 50 40 HJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cc(Cl)ccc2Cl)n[nH]1 9087868 PUYREKOWHDXVPP-AUEPDCJTSA-N 412.280 4.937 50 40 HJGB CCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)cc(OCC)c1OCC 12773120 FUMHZLHNNLGROB-UHFFFAOYSA-N 412.408 4.658 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccncc1 83297825 IPEAGSFNFFOUCY-MSXFZWOLSA-N 400.265 4.731 50 40 HJGB COc1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 1801186 FNKYTZVTGSGUJB-CABCVRRESA-N 413.109 4.533 50 40 HJGB COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1 2216277 QPWQUGRTTGLTQP-SFHVURJKSA-N 411.914 4.568 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NN=C1CCCCCCCCCCC1 4372967 PRQJDMNWNRCJHH-UHFFFAOYSA-N 404.467 4.822 50 40 HJGB Cc1ccc(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1C 5050512 RPKOCDHAVBDRHZ-DICXZTSXSA-N 411.505 4.836 50 40 HJGB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253617296 HYXUDBBVUZEPTI-AXGHXPIFSA-N 411.380 4.903 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc2c(c1)OCO2 408988312 DFDXUWOZQKIEJD-WGARJPEWSA-N 411.461 4.740 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C 2162914 SJSMMWHCZXFXDS-DHRITJCHSA-N 409.530 4.925 50 40 HJGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 4499480 XGUVIBDZXIMLSH-YSURURNPSA-N 411.811 4.571 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1[N+](=O)[O-] 28217564 YZOYECWNHIFEES-FSJBWODESA-N 410.861 4.728 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc([N+](=O)[O-])ccc1O 409044255 UYGQHOPBULEMAZ-ZVBGSRNCSA-N 420.208 4.631 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)o1 409368919 SHASHTGTJROHLK-SSDVNMTOSA-N 414.303 4.830 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)cc1Br 1104184 UTILJYBGZMJYOX-XYOKQWHBSA-N 414.284 4.613 50 40 HJGB O=C(N/N=C/c1cccc(Cl)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 2738602 PAYYEFIAZLUXFE-LSHDLFTRSA-N 407.688 4.656 50 40 HJGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 5205799 LDZWKUKTDNETEE-YDZHTSKRSA-N 403.463 4.548 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)OC(C)C)cc2)c1C 9201628 SXGUKDWEAQSPRA-CVKSISIWSA-N 417.509 4.732 50 40 HJGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1 31628963 YOQVUEDUVMFEKP-MESHQIMYSA-N 404.084 4.967 50 40 HJGB Cc1cc(C)c2oc(-c3cc(N4C[C@@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1 45887552 RIFFUWPLXBQRIZ-LBPRGKRZSA-N 403.265 4.883 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccccc1Cl 59334624 QQIAXHQYGCVRRQ-SXGWCWSVSA-N 419.308 4.966 50 40 HJGB C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC 408853824 XTDDHNTVCYNIDL-XYGWBWBKSA-N 404.466 4.889 50 40 HJGB CCOc1cc(/C=N/NC(=O)OC)ccc1OCCOc1ccc(C(C)(C)C)cc1 4526020 OYAIHRWIUJPMGN-LFVJCYFKSA-N 414.502 4.531 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 8874966 VJFZMWJRWBQXCX-FOKLQQMPSA-N 417.248 4.644 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(Br)c2)cc1 13286349 GBJRONQJJSUZSP-QINSGFPZSA-N 422.282 4.794 50 40 HJGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1 20528779 SHBLQSUTSVHBEB-HZUJZGFBSA-N 419.475 4.834 50 40 HJGB N#C/C(=C\c1c[nH]nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1 84594975 PABLAIJICAVMBH-RQZCQDPDSA-N 409.854 4.815 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(N)=S 408543783 QJNHKVRSLIKBDD-NTUHNPAUSA-N 407.720 4.875 50 40 HJGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408949467 IDFNUFXRXVPNIU-IZQLPPHKSA-N 417.509 4.620 50 40 HJGB Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C 409005631 FUHQAIYPMFDUTF-VYYCAZPPSA-N 402.542 4.890 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)o1 409370722 ARABPLNVDLKICV-WSDLNYQXSA-N 413.271 4.693 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 1414019 ZEOBXZJRYHDACH-ZVHZXABRSA-N 415.405 4.684 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)cc1OC 1794280 BTWQDIQDKVFJSA-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1 2227443 SRNZPASMDKKQSI-GOSISDBHSA-N 411.914 4.568 50 40 HJGB N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9075577 QPIAEKJEAOFBCG-XFXZXTDPSA-N 411.374 4.742 50 40 HJGB C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 13964064 ROJRSRCOTICZAR-KKDFGYMASA-N 403.526 4.849 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCc1ccccc1 936548 XGBWPXSERDPRQX-FOWTUZBSSA-N 421.840 4.774 50 40 HJGB O=C(N/N=C/c1c(O)ccc2cc([N+](=O)[O-])ccc12)c1ccc(Cl)cc1Cl 4503223 YPYUCPRPQGNFTR-ZVBGSRNCSA-N 404.209 4.524 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1 38197705 WEUGUDPVSFTVIT-WJDWOHSUSA-N 402.406 4.508 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)c(C)c1 59248914 PRAJPGAWYOPWCY-GDNBJRDFSA-N 414.303 4.805 50 40 HJGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C 223528790 CTCZLTZYQSSRPZ-MMDHUZEPSA-N 413.949 4.981 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(OC)c2)cc1 408743831 HOVBONULIZTBKF-GDNBJRDFSA-N 400.862 4.692 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(C)cc2)c1 408797983 HLKCILCYTOODCH-DEDYPNTBSA-N 414.461 4.834 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC 409360981 GGOCJLKFADNYCA-NSIKDUERSA-N 402.244 4.649 50 40 HJGB CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccccc2)C(C#N)=C(c2ccccc2)O1 5325419 JVXYKFLFIFCHJD-JOCHJYFZSA-N 417.461 4.506 50 40 HJGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 9019314 QERUGEBYBCBLSZ-OAQYLSRUSA-N 423.428 4.697 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)=O 17091379 RFNFZXFJUXZKAU-OQLLNIDSSA-N 418.371 4.575 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 408725879 QMWNXZKMVVPMRC-WPWMEQJKSA-N 424.504 4.929 50 40 HJGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)ccc1Br 408786968 YUKNFTFWZBFQML-YVLHZVERSA-N 400.320 4.597 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Cc2cccc(F)c2)c1 408874935 GJCSPLNFYIHAPR-CPNJWEJPSA-N 402.425 4.676 50 40 HJGB O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1ccccc1 408892000 XASMWKQSQPJFFX-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 409100889 XDMBWKYNORBXTG-MYYYXRDXSA-N 408.885 4.935 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 409199485 DQXSBAQBKRNODH-JJFYIABZSA-N 414.870 4.541 50 40 HJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC 409376328 XDAWBRSDNRXHJB-XMTZNVEYSA-N 404.894 4.607 50 40 HJGB N#CC1=C(SCC(=O)NC2CC2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 2376489 ARRLPPUSODYNFY-LJQANCHMSA-N 413.930 4.621 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCCO2 3140664 CXRGJOIFARLROJ-FOKLQQMPSA-N 417.248 4.789 50 40 HJGB COc1cc(/C=N/NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)ccc1O 5124419 UIPLLABJHFBIQN-CJAIAGFTSA-N 418.537 4.698 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](Br)C(=O)[C@@]4(C)CC[C@@H]32)C1 118912434 SMJCXQBAPTXOIC-YHKBIIBQSA-N 409.364 4.823 50 40 HJGB COC(=O)c1ccccc1S[C@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1 5722771 VILALQWSFYHENT-QGZVFWFLSA-N 418.518 4.523 50 40 HJGB Cc1cc(Br)c2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1 20133315 URPNQRWZGNYPOS-JTQLQIEISA-N 406.143 4.725 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1C(=O)O 408891223 NDWIZGDPOHCVOF-XMHGGMMESA-N 421.456 4.933 50 40 HJGB O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 409004012 WCWKFMZJUPTKHR-QFIPXVFZSA-N 401.466 4.519 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl 409013337 UODKKHWQFZUVPO-PCLIKHOPSA-N 402.885 4.994 50 40 HJGB O=C(N/N=C1/CC[C@@H]2C[C@H]1CC/C2=N\NC(=O)Nc1ccccc1)Nc1ccccc1 4529826 CPTMODILXKXYMH-MUICQPLTSA-N 418.501 4.552 50 40 HJGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 6168460 GXOVKLSAIUWOFR-JZCUADNKSA-N 406.482 4.798 50 40 HJGB Nc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 6345777 KOGIBOAFTKYTQJ-BRJLIKDPSA-N 414.292 4.919 50 40 HJGB Cc1cc(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)cc(C)c1Cl 30937351 XJYQRPPQZTXCMB-DIIFAGHASA-N 421.722 4.874 50 40 HJGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc2ncccc12 100891809 VQQWRJDELHXVLF-FYWRMAATSA-N 410.389 4.949 50 40 HJGB N#C/C(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1\NC(c2ccccc2)=CS1 102944134 YJFITTAGBVQZMU-LVWGJNHUSA-N 415.562 4.580 50 40 HJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc2c3c(cccc13)CC2 408754861 SKEPRXABAXMLQR-FSJBWODESA-N 403.532 4.791 50 40 HJGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)N1CCN(c2ccccc2)CC1 408784285 ANBOZQFJQPWUIV-PYCFMQQDSA-N 409.489 4.735 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc(OCC)c1O 408811126 QQSGZVVJYNCIAZ-MHWRWJLKSA-N 412.873 4.727 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 408882927 STLAXZWOVMQBRN-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1cccc(C)c1 409081639 HJCPGZXVTBGLDM-JVWAILMASA-N 413.477 4.608 50 40 HJGB COc1ccc2ccc(OC)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2c1 409209224 GYQZMQXXMMROID-FSJBWODESA-N 414.914 4.753 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OC)cc2Cl)cc1 408793132 DFMZEOLNXOSTEE-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 409001177 VDMBAWHPVWZSKR-MSXFZWOLSA-N 416.308 4.930 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 409064833 FSYMFGCKJHBXNZ-PXLXIMEGSA-N 414.505 4.988 50 40 HJGB CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2C[C@@H](O)CCl 978398 NBIATHZNXOUSOE-KRWDZBQOSA-N 405.929 4.927 50 40 HJGB Cc1c(Cl)cccc1NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 2784095 VIRPMBOJRQLURO-UHFFFAOYSA-N 409.942 4.798 50 40 HJGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 14134889 JAOUKDYAPMQIJX-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB CN(C)c1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 20247437 ZFQCPFOWRGGDTI-MFKUBSTISA-N 401.535 4.706 50 40 HJGB O=C(N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 30817691 NWVZRHITORAQKB-CFRMEGHHSA-N 413.260 4.977 50 40 HJGB CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccn3)cc2)n1 48332437 YPIXGRQZSUAJEI-ATVHPVEESA-N 418.522 4.960 50 40 HJGB Cc1c(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)sc(N)c1C#N 252517912 UWJAVIMZFAIUHS-UHFFFAOYSA-N 419.293 4.841 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Cl)c2)cc1 408744462 LGOGRTCODDSSOX-ZROIWOOFSA-N 416.264 4.840 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 408897093 VNVKAUIIWYIBOB-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 408980070 UJCXOSAURSWEGE-WOJGMQOQSA-N 423.314 4.917 50 40 HJGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c1 409008308 VPOLKDUCPPQULW-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOC(=O)c1ccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)cc1 1766796 RVBZPMBZIUFYMX-UHFFFAOYSA-N 409.447 4.574 50 40 HJGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1 3067973 XMXYCUHCYWWVIN-HZHRSRAPSA-N 408.299 4.981 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4505230 KCEJBDYIHJNRJB-RVPYRKDQSA-N 409.486 4.545 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)c(OC)c3)n2)cc1 31906009 DNUQFUQVMSDFBH-SXGWCWSVSA-N 408.479 4.909 50 40 HJGB C#CCn1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc21 35175642 JTUIZKBBOUWEIP-UUYOSTAYSA-N 409.287 4.501 50 40 HJGB N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2 38199571 OVJVVOUXTWPRDT-KPKJPENVSA-N 412.858 4.606 50 40 HJGB CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 408538826 CFLJUDPZALWRPM-HMAPJEAMSA-N 403.866 4.971 50 40 HJGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408676737 MWWHWTDEMARMNN-MTDXEUNCSA-N 424.504 4.501 50 40 HJGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 723701 BXASCYFSSFRRKC-ZMOGYAJESA-N 412.873 4.836 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1ccccc1 1439485 OUJCMPXATWLHLE-QGOAFFKASA-N 416.408 4.599 50 40 HJGB O=C(CCCl)Nc1cccc(/C=C/C(=O)c2ccccc2NC(=O)CCCl)c1 5809542 XSLURPNBXOHOBQ-CMDGGOBGSA-N 419.308 4.718 50 40 HJGB CSc1ccc([C@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1 6477141 AICFUQQJJZJXPO-LJQANCHMSA-N 410.564 4.868 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59921989 PMZSPFRKXODDPU-WPWMEQJKSA-N 410.473 4.948 50 40 HJGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccccc1Cl 408586935 DCOMSHLBQHICOZ-CIAFOILYSA-N 407.992 4.784 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 408806133 AWOSGCMTYDTFII-MXAYSNPKSA-N 414.417 4.504 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Br 408886916 JVYCNTCHJVHCID-MDWZMJQESA-N 405.679 4.965 50 40 HJGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914613 CSHPQGCRTHHLPH-KSEXSDGBSA-N 416.264 4.651 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 59433307 DSGCVKWKAAIQTF-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1O 408761031 GQTJSETVNUHZLN-LZYBPNLTSA-N 423.266 4.862 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCCc1ccccc1 408800444 MIFLFBYQEYNTCE-PXLXIMEGSA-N 400.453 4.671 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408850406 NCQVTTCCXHILSF-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB O=C(NN=C1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408873826 WCGSSIQOPHSPOR-XMMPIXPASA-N 421.566 4.901 50 40 HJGB COc1cccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1OC(C)C 408905197 VAFHQOSGVAYUNE-NHDPSOOVSA-N 420.307 4.709 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1 409200140 QOJKMJFPBCVIDI-FEGPCZTRSA-N 410.452 4.586 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 3178774 WTOITEIHACNVSV-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 110404987 NCWUPRRCSHTVGD-AFUMVMLFSA-N 409.530 4.710 50 40 HJGB N#C/C(=C\c1ccc(I)cc1)Sc1nc2ccccc2[nH]1 408599141 PHLQJTNEWZXNCX-UKTHLTGXSA-N 403.248 4.824 50 40 HJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408755254 IXVHJTLSPYYWGA-SSDVNMTOSA-N 410.886 4.719 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Cl)cc1 4545155 OZQBYMUSVHWEAH-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 4741426 HFJQZGVHCYMGDO-VFNWGFHPSA-N 406.869 4.557 50 40 HJGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 6324602 HTUHAVVZSRWPEE-IWIPYMOSSA-N 416.905 4.856 50 40 HJGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)SCCS1 6348169 JMAINHFSVXJVFE-LPYMAVHISA-N 420.987 4.955 50 40 HJGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1 32216650 MDBFAGHAMMEXRZ-IPLHSMHLSA-N 413.477 4.668 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 58625787 VQVOCALEGXPVLM-LDADJPATSA-N 416.437 4.557 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1cccc2ccccc12 408528992 YVTFNEMCSFDMQM-WPWMEQJKSA-N 410.473 4.948 50 40 HJGB Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1 408890007 MLYRLHMHLAPYTJ-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1 408960586 MZBCMTZXRYNUBS-CFRMEGHHSA-N 423.856 4.773 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)cc1 1512826 ZGOVKDUBXONYKF-XMHGGMMESA-N 400.434 4.977 50 40 HJGB CCOC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OCC)c1 2299850 MNTVKKVDXXLKKV-HYARGMPZSA-N 422.934 4.990 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](Br)C2=O 11990786 VBZCTPJZVASQHJ-VUCTXSBTSA-N 418.253 4.803 50 40 HJGB N#CCS/C(SCC(=O)c1ccc(F)cc1)=C(/C#N)C(=O)c1ccc(F)cc1 12428998 KVKNMAKBUVRYSK-LVZFUZTISA-N 414.458 4.756 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 408753777 HZXHITZXJVHUQY-JFLMPSFJSA-N 412.411 4.977 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 408816231 SZHKPJQQOJPEDA-WWJLXRQJSA-N 407.473 4.922 50 40 HJGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCc1cccs1 781433 ZWJJDHQGWMAGMM-UDWIEESQSA-N 422.513 4.846 50 40 HJGB aggregator COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1C 948060 QVGVBCLYTQWOBT-HYARGMPZSA-N 419.502 4.921 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 48508616 ODXXFNJAYMZQHQ-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB Cc1cccc(COc2ccc(/C=N/NC(=O)COc3c(C)cccc3C)cc2)c1 408907287 ANNDQXSPTJNMBY-CVKSISIWSA-N 402.494 4.720 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2276583 PSRYOKVZXRPIDO-OAQYLSRUSA-N 406.869 4.734 50 40 HJGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1OC 59336619 LYYFIGKHKALFPE-XFXZXTDPSA-N 407.253 4.565 50 40 HJGB COP(=O)(CC(=O)C[C@H](CC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)OC 196013438 XBCOWFFQISKOSJ-OAHLLOKOSA-N 424.547 4.554 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1 207157881 RTOQONSZWPKPHX-SXGWCWSVSA-N 417.278 4.599 50 40 HJGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1 409368005 LINKEMZXGWDMIZ-NRFANRHFSA-N 405.498 4.842 50 40 HJGB CCc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 872610 DOFJKEUJPLQJDU-IBGZPJMESA-N 407.901 4.901 50 40 HJGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CCCC2 2657763 GEVLBLHPOQYKIG-FSJBWODESA-N 412.946 4.597 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OCC 3089312 AZAVMLXOFBYYQP-OEAKJJBVSA-N 400.544 4.566 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(Cl)cc1Cl 13563078 ZUIHMKKAGBYZHA-JJFYIABZSA-N 407.326 4.513 50 40 HJGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCCCOC)cc2s1 20133069 ZSSNOBXVNINETP-ZDUSSCGKSA-N 415.353 4.604 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)o1 408743595 HAEHXKJBJRIMTD-PTNGSMBKSA-N 403.394 4.718 50 40 HJGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)C(C)(C)C 408781770 DNQBUTKJZAHXOS-OLCUMFGGSA-N 409.555 4.613 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cccc(C)c2)c1 408802699 GFPBHWDMNWKDQE-DEDYPNTBSA-N 414.461 4.834 50 40 HJGB COc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1OCc1ccccc1 408867435 MIAPVVDRDJGMMM-BUVRLJJBSA-N 406.507 4.517 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1 408963158 AJYLINMBVCQDMW-YDZHTSKRSA-N 402.410 4.512 50 40 HJGB C=CCOc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cccc1OC 2162419 DTGIEIZSWZEZQC-MFKUBSTISA-N 400.434 4.923 50 40 HJGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccccc3)cc2)cc1 4590077 KJGPFWSDUMHPDO-OVVQPSECSA-N 414.505 4.896 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)cc1 5006978 CXICNCXIWCGUAH-MFKUBSTISA-N 420.582 4.940 50 40 HJGB C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)COc1ccc(Cl)cc1Cl 9057080 KJEOWOMYAOPEHI-ZVHZXABRSA-N 422.312 4.510 50 40 HJGB CC1=C[C@H](C)[C@H]([C@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@@H](C)C1 97949480 JAPABBMFYHDZMU-LIOHBJMPSA-N 423.537 4.897 50 40 HJGB CCCCCCCCCCCCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 101538523 BWAQNJIOWARKLA-RCCKNPSSSA-N 422.482 4.970 50 40 HJGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2C(C)=CC1(C)C 208512727 GERHSKARGLJKCX-ZVHZXABRSA-N 406.486 4.689 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc(C#N)c3)c3ccccc23)c(C)c1 216049282 UUQIADPEQZNTCG-MUFRIFMGSA-N 420.516 4.871 50 40 HJGB C=CCn1c(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 408747237 KVRZBIFUOCEHRI-TURZUDJPSA-N 423.516 4.522 50 40 HJGB Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(N)=O 408867874 OGOAQDVTEAZVQO-LICLKQGHSA-N 421.294 4.882 50 40 HJGB O=C(Oc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1)c1cccc(F)c1 408896568 OJYBSNTZWPQMLI-JVWAILMASA-N 412.420 4.962 50 40 HJGB CC(=O)Oc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 409031298 AJRATYVGAKDRDP-WGOQTCKBSA-N 409.445 4.591 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867508 WDLRRDVWUHQBEK-LDADJPATSA-N 417.396 4.859 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)c2ccccc12 16311716 ZLFLYNMPNFFQBA-DEOSSOPVSA-N 422.488 4.869 50 40 HJGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 58914512 STMWOZLYXMXEIV-KSEXSDGBSA-N 416.264 4.651 50 40 HJGB Cc1ccc(-c2cc(C(=O)NN)c3cc(Br)ccc3n2)c2ccccc12 226360503 BDPIOBRRDWQPAD-UHFFFAOYSA-N 406.283 4.729 50 40 HJGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 408759895 NNYCPOCRBOZAJQ-VBKFSLOCSA-N 415.405 4.912 50 40 HJGB COc1ccc(C(=NNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(OC)cc2)cc1 6230311 GIEQSGYVYSVPOR-UHFFFAOYSA-N 418.537 4.789 50 40 HJGB N#C/C(=C\c1ccc(-c2ccccc2Br)o1)C(=O)NCc1ccccc1 13141399 BXSJLOXBMZFUHY-FOWTUZBSSA-N 407.267 4.932 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 215588078 IDVSXNLXEQNVJS-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)cc1 408922880 HHQUCQPBWJIUDG-RCCKNPSSSA-N 413.477 4.817 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 408996255 CRTOCITYXJJXMX-AFUMVMLFSA-N 409.917 4.839 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 657392 SBCFOJRKXFGONU-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB C[C@@H](NC(=O)[C@H](Br)[C@H](Br)c1ccccc1)c1ccccc1 4036725 NCEFWYGCAXBQQH-DAXOMENPSA-N 411.137 4.764 50 40 HJGB CC(=O)n1cc(/C=N/NC(=O)c2ccc(NCc3ccccc3)cc2)c2ccccc21 4045359 HJQZRWGHLXXEJC-JVWAILMASA-N 410.477 4.677 50 40 HJGB CCOc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Br)cc1 6600712 FZPILABDDJNFBT-KGENOOAVSA-N 421.360 4.621 50 40 HJGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 9096362 QMDZGLQDSFSNRZ-HANHIZDOSA-N 410.521 4.838 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(C)=O 59282026 SABKKGNUHOJMPW-CPNJWEJPSA-N 400.434 4.709 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1F 408740272 AUOIFLIMWWVGNX-UYRXBGFRSA-N 402.425 4.959 50 40 HJGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl 408904259 HDQKYAUNZCYCLD-NKVSQWTQSA-N 422.224 4.810 50 40 HJGB COc1ccc2c(Cl)c(C(=O)NNC(=O)Cc3cccc4ccccc34)sc2c1 675284 CONFJBKZTTYPBA-UHFFFAOYSA-N 424.909 4.720 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 2241515 ULYHDMZQJNMFIC-SFHVURJKSA-N 411.527 4.767 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2C)cc1Cl 408591794 VEPMVGHAAGODMF-FSJBWODESA-N 410.861 4.728 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408727903 YGYVPLPNKGKCRJ-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccccc1 408751600 AIEHGQIOWZAZBG-JFLMPSFJSA-N 412.411 4.977 50 40 HJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c1 408950087 DIJZJDFIJPJMHO-WDZFZDKYSA-N 424.092 4.967 50 40 HJGB COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408967044 PLIFKBYTBFZWHZ-YSMPRRRNSA-N 413.481 4.807 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OC 409068170 SWNODIIITZXRKV-XMHGGMMESA-N 406.482 4.767 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 627260119 SMJCXQBAPTXOIC-CLIDLRMUSA-N 409.364 4.823 50 40 HJGB CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1NC(=O)CCl 3246493 AULNJCFWJGVJBB-UHFFFAOYSA-N 402.697 4.532 50 40 HJGB C=CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 4524062 UNFVNTGEXAMBLI-BHGWPJFGSA-N 412.795 4.696 50 40 HJGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccccc1 8512328 WUORQMPNHTUWPI-WSDLNYQXSA-N 419.319 4.533 50 40 HJGB CCc1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1 9434418 WLKRXFADBNHGPA-LGUFXXKBSA-N 402.494 4.861 50 40 HJGB Cc1ccccc1C(=O)NNC(=O)c1ccccc1CSc1nc2ccccc2o1 32732209 KDXYWZOZWDRHHT-UHFFFAOYSA-N 417.490 4.503 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccccc1Cl 59447343 NSXALGLKMNRTSG-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB C[PH]1(CCc2ccc(Cl)cc2)C[C@H](Br)[C@H](Br)C1 104137287 HGTBSNZGTMVFRK-BETUJISGSA-N 400.522 4.803 50 40 HJGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 209665482 XAPZPDNAWSKCQT-GHRIWEEISA-N 402.523 4.644 50 40 HJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408807467 CKFURNLCIUEQDU-UUILKARUSA-N 411.672 4.627 50 40 HJGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc2ccccc2o1 408820857 ZTYUEBZFZWYUAJ-UUYOSTAYSA-N 402.435 4.817 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1Cl 409368697 IIOVSDGFYVSNNL-CPNJWEJPSA-N 410.901 4.847 50 40 HJGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F 409369809 YRPXUZDQSXYWLF-FQEVSTJZSA-N 409.461 4.591 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1 5321755 ZDIDQWWEAURUKD-NLRVBDNBSA-N 401.510 4.729 50 40 HJGB C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 6441310 CQMWSZCYQJTBTN-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 8812272 RFSPEUFROMXUFZ-VULFUBBASA-N 421.472 4.562 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 10315712 BUBSLIXOZKPVLQ-MFKUBSTISA-N 409.917 4.839 50 40 HJGB CCCCOc1ccc(/C=N/NC(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1 59488450 PTPKQZNQYYJGJB-PCLIKHOPSA-N 409.530 4.660 50 40 HJGB C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(I)cc1 408771456 IDBOZBZOBQOFJG-FYJGNVAPSA-N 420.294 4.743 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC#N 408796286 OSDBVDOTQZMJAA-NTEUORMPSA-N 416.264 4.840 50 40 HJGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 408800458 MKQYWYURYASXRS-OQLLNIDSSA-N 400.862 4.690 50 40 HJGB C[C@@H](C(=O)NN=C1CCCCCCCCCCC1)N(c1ccccc1)S(C)(=O)=O 408923651 ZGVJCJWRTBQZHE-IBGZPJMESA-N 421.607 4.618 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 409070312 ZXNDJAMZDSBGEG-XMHGGMMESA-N 404.441 4.511 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1 409138026 YWLNLEUYWIXFPR-QFIPXVFZSA-N 422.843 4.982 50 40 HJGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 954215 FQFKLJKYZDQUJM-VIZOYTHASA-N 424.869 4.841 50 40 HJGB Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nnc(NC(=O)CCl)s1 2576620 PRWQWHDCYNGDLV-UHFFFAOYSA-N 403.678 4.653 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OC(C)C 8812428 BUSVBZSYAYSJJH-SSDVNMTOSA-N 423.282 4.538 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Cl)cc2s1 20132299 BKGVOHKHPCWKNI-LURJTMIESA-N 412.534 4.824 50 40 HJGB N#C/C(=C\c1ccc(N2CCCC2)cc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 33696142 NKEOMFLSAPNRAA-LFIBNONCSA-N 420.513 4.784 50 40 HJGB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(SC#N)c([N+](=O)[O-])c1 100958925 HGKKSIHEICXEIZ-YVLHZVERSA-N 407.455 4.503 50 40 HJGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 1768838 ATZNRQSDUJIHOX-JHAVZTMOSA-N 419.934 4.859 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1OCc1ccccc1 3089340 CLTYRHQUOOUZCN-MFKUBSTISA-N 404.535 4.958 50 40 HJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc12 3204380 NCHLHVWMIULBRZ-LPYMAVHISA-N 402.435 4.635 50 40 HJGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 58823150 CJLCPMWWXIHFQB-ODCIPOBUSA-N 401.677 4.704 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3OC)cc2[C@H](C)CC1(C)C 208315990 JCQQVXZSEBAROJ-WTTSBOSASA-N 423.557 4.645 50 40 HJGB O=C(Cl)/C=C/c1ccc(OCc2ccc(F)cc2)c(I)c1 226333511 NSJQQLLDHFVHAV-XBXARRHUSA-N 416.617 4.788 50 40 HJGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)C(=O)Nc1ccc(Cl)cc1 408743834 BWYKKPBHRGOODK-XFXZXTDPSA-N 409.785 4.759 50 40 HJGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(O)c1 408744856 NQTTYLCOGCDDFX-PTNGSMBKSA-N 414.303 4.547 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c1C 408962296 YGNITCCFLDXSCR-WGOQTCKBSA-N 402.542 4.795 50 40 HJGB O=C(N/N=C\c1cccn1-c1cccc(Br)c1)c1cc2ccccc2o1 409020616 RCNIJNRCMOULMV-XKZIYDEJSA-N 408.255 4.750 50 40 HJGB CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409229820 VLAZBSPSIDQMIJ-UYRXBGFRSA-N 412.917 4.793 50 40 HJGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1N1CCCCC1 8772739 VOCPADKFMMRXMZ-LJAQVGFWSA-N 414.417 4.736 50 40 HJGB CCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347520 KUUAWTFDIGQAAS-FQEVSTJZSA-N 409.511 4.766 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 20764179 HJHHKRIHUNNZOK-LQKURTRISA-N 422.488 4.724 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(N)=S 408542643 KGLCCMCYBHNPEU-NTUHNPAUSA-N 407.720 4.875 50 40 HJGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1 408706539 BBMKXAFHDFKTOW-DHRITJCHSA-N 424.863 4.620 50 40 HJGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NCc1ccccc1 408776753 RBDNCCADYURCJJ-VBKFSLOCSA-N 400.463 4.530 50 40 HJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 408814320 PEKCYRACABVYTB-SFQUDFHCSA-N 402.406 4.508 50 40 HJGB N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 408869370 CKLPUZINKWWBAW-CPNJWEJPSA-N 401.397 4.870 50 40 HJGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Cl)c2)cc1OCC 409313773 QWKZYJMDFMPISN-UCQKPKSFSA-N 404.894 4.690 50 40 HJGB CC1(C)[C@]2(C(=O)Nc3cccc4ccccc34)CC[C@@]1(C)C(=O)[C@H]2Br 2172565 NEVYBORRHNCPOB-TYCQWZJGSA-N 400.316 4.937 50 40 HJGB N#C/C(=C/Nc1cc(C(F)(F)F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 5513763 MNQGJHFVALTZHM-LCYFTJDESA-N 404.772 4.749 50 40 HJGB C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(C(C)(C)C)cc1 408711701 GQGVPFLCFRTFEC-FYJGNVAPSA-N 420.294 4.743 50 40 HJGB CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 409148593 QQTOISIYRQHMAO-QFIPXVFZSA-N 419.912 4.649 50 40 HJGB CSc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409256492 LOXGIKDHBIYCBM-WSDLNYQXSA-N 424.353 4.974 50 40 HJGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1ccc(F)cc1 409311592 BBZBBNZWZJBSCD-MRXNPFEDSA-N 417.303 4.860 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3C)c2C)c1 636858 ZWZQNFFYVLOCKE-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB Cc1ccc(/C=C(\C#N)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 3205791 ZTYROQNNYIFMAO-DEDYPNTBSA-N 414.534 4.556 50 40 HJGB Cc1cc(-c2n[nH]c3c2[C@@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O3)c(C)s1 4168774 ADGSDSZNNYGRPO-HNNXBMFYSA-N 416.428 4.992 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 4676705 XBCJAJLZVOWAHR-QUYZQLMHSA-N 408.885 4.535 50 40 HJGB N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCc1ccco1 4959782 VUZSZFJXWQQXLX-XDJHFCHBSA-N 411.461 4.537 50 40 HJGB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)C(C#N)=C(SCC#N)N1 9761273 ZWJYCBPPGKMPHM-HXUWFJFHSA-N 420.925 4.931 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1cccc([N+](=O)[O-])c1 34718779 XJKWQGBQZNLQAV-NDENLUEZSA-N 400.390 4.936 50 40 HJGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 48573318 HTUIABDQQHMSIC-YZSQISJMSA-N 400.478 4.967 50 40 HJGB N#C/C(=C\c1cc(Br)ccc1F)C(=O)Nc1ccccc1Br 96130169 QTSZRWBNXIHLEM-YRNVUSSQSA-N 424.067 4.896 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccc(Oc2ccccc2)c1 102090719 TXKLLCSBLYHZJZ-OAQYLSRUSA-N 420.424 4.620 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 102970289 OXLOFSOSALNCTL-ZGXVKHBQSA-N 412.917 4.673 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 408598833 KDWHKQUYZMYMLZ-MFKUBSTISA-N 404.466 4.795 50 40 HJGB O=C(N/N=C(\COc1ccccc1)c1ccc(Br)cc1)c1ccccc1 408734394 PKHJMXBUAHUGFX-BSYVCWPDSA-N 409.283 4.662 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)c(C)c1 408793739 GJKBWINERLQBNZ-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(F)cc1 408857082 MSEASHASMFOEQM-UHFFFAOYSA-N 401.235 4.996 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OC 408895133 MCJNBCGQDIQGIE-VGOFMYFVSA-N 415.833 4.510 50 40 HJGB N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408942708 ZZZQDWPZZCBUMA-ZDLGFXPLSA-N 417.396 4.859 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](Br)C(=O)[C@]4(C)CC[C@H]32)C1 627260127 SMJCXQBAPTXOIC-DXUNKFAKSA-N 409.364 4.823 50 40 HJGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(C)o1 1445484 HGDDGIDJRAJGNQ-ORWNMUSCSA-N 415.287 4.811 50 40 HJGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1 3254493 LFIIGDPHRGMMDH-LFIBNONCSA-N 416.262 4.960 50 40 HJGB O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1)c1cccs1 4779765 IIKJXSCGSMQTFN-LFVJCYFKSA-N 415.474 4.522 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)ccc1Cl 8812149 JOKGHMBDQDNNMU-WYMPLXKRSA-N 414.820 4.680 50 40 HJGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1COc1ccc2ccccc2c1 103251523 BJEBYALLQPWEGP-MYYYXRDXSA-N 400.434 4.784 50 40 HJGB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104816230 DAGFPTOMGCSJOP-NSPLTWOJSA-N 420.519 4.663 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1 408543942 QYAPHLHQZQZYTA-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c1 408773324 PPJDMWLDFDZCRZ-PDGQHHTCSA-N 416.433 4.978 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 409363093 KXXNEYBLAKIZQV-WYMPLXKRSA-N 410.857 4.608 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409365873 PJJLKZPXXKCFSU-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 2670162 UWZRXIJCTHSVEW-HMMYKYKNSA-N 412.445 4.769 50 40 HJGB CCOc1ccccc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1Cl 3304048 OVKRFTSPTRSSMV-DTQAZKPQSA-N 406.873 4.779 50 40 HJGB CC(C)(C)c1cc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O 17441349 UFEOIVJWDZGEGC-AFUMVMLFSA-N 406.530 4.556 50 40 HJGB CCc1cc(Br)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12 20133386 OPAQAWNZXJUHOD-NSHDSACASA-N 420.170 4.979 50 40 HJGB COc1ccc(C2=C/C(=C(\C#N)C(=O)NCc3ccco3)c3cc(C)ccc3O2)cc1 35681497 WXXVAFNPCFSLEO-XDOYNYLZSA-N 412.445 4.624 50 40 HJGB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253617301 HYXUDBBVUZEPTI-LAMJPENXSA-N 411.380 4.903 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 408759572 HHKGUAFLUJSIHS-AWQFTUOYSA-N 416.102 4.919 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1 408769419 UIRFYPQJGSKWQI-ATVHPVEESA-N 400.394 4.636 50 40 HJGB CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)cc1 409000357 YRERQQXDKNZOSH-ITYLOYPMSA-N 402.542 4.633 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 409068054 SOKFDMREFPEXCA-WGOQTCKBSA-N 404.489 4.597 50 40 HJGB Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)c2ccccc2)c(C)c1 4550761 HJMUXZRTNZUXHT-NLRVBDNBSA-N 402.494 4.915 50 40 HJGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OC 408852482 GFVGTIHICZEABC-UUYOSTAYSA-N 413.271 4.696 50 40 HJGB O=C(N/N=C\c1ccc(Sc2ccccc2)o1)c1ccc(Br)cc1 409083121 NNIWLYKAWVRDOV-NDENLUEZSA-N 401.285 4.957 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1F 409251960 RMBTXJYGMBPGDG-JWGURIENSA-N 401.485 4.889 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OC 409320461 AZOWQCDGZLMSQY-JJFYIABZSA-N 411.285 4.563 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1O 409352302 YCPIVAPQGURCOU-SDQBBNPISA-N 411.626 4.723 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@@H]2Br 6763629 DLRVFCBBSLTBCI-WQVCFCJDSA-N 401.142 4.977 50 40 HJGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1 8385993 UFZXYXYBXYWCKT-XIEYBQDHSA-N 412.530 4.964 50 40 HJGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 15012564 RBWKVKBKANFBLS-SARUNTBLSA-N 419.912 4.545 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 28217267 DYJOPHVJVOIHHZ-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc(Cl)c1 408764929 UFWBAUUODCJXJR-ZMOGYAJESA-N 404.857 4.559 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccccc1 409181311 AXBRUHBIACVLET-WGOQTCKBSA-N 402.494 4.584 50 40 HJGB N#CC(C#N)=C1/C(=C/c2ccc(Br)c3nsnc23)C(=O)c2ccccc21 1776011009 PMAUDXOHJGZQFR-AUWJEWJLSA-N 419.263 4.534 50 40 HJGB CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1 985617 FPCBUGNQEKZKHI-NRFANRHFSA-N 407.477 4.514 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cncc(Br)c1 2356557 MZJBDICGCYKPOL-UFFVCSGVSA-N 404.651 4.521 50 40 HJGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc(Cl)c1 3167568 ZTTQKXZAIGCZSZ-SSDVNMTOSA-N 417.690 4.785 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1C 16312567 BOJFXTZQULLUQB-IPIVFHEZSA-N 402.454 4.954 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)cc2)cc1 20197864 SCYINLMDZYQGDP-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c(OC)c1 33634760 AWEGPMUKPBZDPE-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB Cc1ccc(COc2ccc(/C=C/C(=O)Cl)cc2I)cc1 226333188 YASNEZOHCUCCCE-VQHVLOKHSA-N 412.654 4.957 50 40 HJGB COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)[nH]c2c1 409390554 FFWLVBIVIZEKRX-LCYFTJDESA-N 416.393 4.812 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OC 3660934 UGFHZKUFOCVLAW-HYARGMPZSA-N 404.919 4.546 50 40 HJGB CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1 4616502 NIUKXSXAMHMYEE-ZVHZXABRSA-N 418.921 4.673 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NCc1ccccc1 6223130 DNXSWBFBARHKGP-XNTDXEJSSA-N 407.813 4.732 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 7159197 OTRNYLKOTZPWOK-NTEUORMPSA-N 401.249 4.560 50 40 HJGB C/C(=N\NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(C#N)cc1 12565931 FUZMJAVXBDDTQT-WGOQTCKBSA-N 403.869 4.945 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 20197459 MCVPBUHYYRHOHT-OEAKJJBVSA-N 407.426 4.716 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 39884729 NDNQHSNDYTYPON-RVDMUPIBSA-N 418.365 4.617 50 40 HJGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(CSc2ccccc2)cc1 58915978 ILNJENMBDBSASF-BUVRLJJBSA-N 404.491 4.514 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 408774848 YHHMUEXBHCJWKH-AQTBWJFISA-N 414.421 4.890 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1 20132406 WWTANYISVPWXCK-AWEZNQCLSA-N 405.317 4.987 50 40 HJGB CCN(CC)c1ccc(/C=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 33387520 HEZDVSNOBMOKKE-AFXLCRDISA-N 411.549 4.989 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1 33628493 AMGHNNHBCFAIOL-WSDLNYQXSA-N 413.886 4.807 50 40 HJGB CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21 96476337 MCLPXAFKBBHYQC-YBEGLDIGSA-N 421.884 4.712 50 40 HJGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc21 208200569 GRIKSJOFGYXPKE-WQEJZQBCSA-N 414.347 4.935 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408585439 DSSLTZHWDIHNLP-FSJBWODESA-N 410.861 4.728 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC#N 408985123 VMYAGTWJTBKLIN-ZSOIEALJSA-N 416.264 4.758 50 40 HJGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 876222 QXDIPZIXRNAKTH-UHFFFAOYSA-N 421.541 4.999 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 5892810 ROJRSRCOTICZAR-LPMGKWFESA-N 403.526 4.849 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccc(Oc2ccccc2)c1 7343684 KFLOKMSUMYGTDO-NRFANRHFSA-N 407.429 4.539 50 40 HJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(F)cc1 101545901 ILZWQIVTCYCUEH-WPWMEQJKSA-N 419.456 4.539 50 40 HJGB N#CCC[C@@H]1CCCC/C1=N\NC(=O)CSCc1cccc(Br)c1 408719724 KVVMZWXNFBNZAC-OSGFXRFRSA-N 408.365 4.648 50 40 HJGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccs1 409131382 XTWGEWOQCQGPOL-ZDUSSCGKSA-N 405.342 4.783 50 40 HJGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 409389432 YZZCHFOEUMUBCZ-LPYMAVHISA-N 419.488 4.657 50 40 HJGB C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 17082707 WBORKBCEWXYDQS-VHEBRAQUSA-N 403.507 4.644 50 40 HJGB CCc1cccc2c(C(=O)/C(C#N)=C/c3ccc(OCc4nccn4C)cc3)c[nH]c12 40139863 CDYJCONYJUKZFV-CPNJWEJPSA-N 410.477 4.833 50 40 HJGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(O)cc1 408794228 IJYPKCRDXLTOQB-FMIVXFBMSA-N 409.785 4.759 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408799562 ZSJSHKIRGHTBJL-LDADJPATSA-N 408.885 4.859 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)ccc1OC 409311632 GPEWSCFLTHOHJO-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 537835 DCVGANSDLNPXGO-ZTHGNWFUSA-N 406.950 4.627 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1194929 APYVHMLNEAAMHD-FOWTUZBSSA-N 403.394 4.799 50 40 HJGB O=C(NN(C(=O)c1ccc(F)cc1)c1nc2ccccc2s1)c1ccc(F)cc1 2755470 BDGGNFXWOKNCIK-UHFFFAOYSA-N 409.417 4.566 50 40 HJGB CCCCCc1cc(C(=O)N/N=C(/C)c2ccc(O)c(OC)c2)c2ccccc2n1 5783453 VCSWBAIUTHNMMY-QQXSKIMKSA-N 405.498 4.836 50 40 HJGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1 408772340 LBQVCGWRQOAOIV-WGARJPEWSA-N 407.489 4.633 50 40 HJGB Cc1cc(-c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)o2)cc([N+](=O)[O-])c1C 408851531 CJQFOKGUQPQPSY-FMCGGJTJSA-N 403.394 4.982 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1 409063005 FIGPWMUPXCZAQR-OQLLNIDSSA-N 408.820 4.916 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OCC 409332300 GPUZOHHJJUDRKT-JJFYIABZSA-N 411.285 4.563 50 40 HJGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 670371 SHHRUWDDPSCDCN-GFCCVEGCSA-N 409.313 4.519 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1 2230905 YLEVFKXPGXQAIH-GOSISDBHSA-N 411.914 4.568 50 40 HJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 30937338 PYAOFZDHLAOSSF-ZVHZXABRSA-N 421.453 4.681 50 40 HJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@H]1CCC[C@H](C(F)(F)F)C1 45440143 UKBRPBFWJBKYIS-CBAPKCEASA-N 404.742 4.501 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408763978 VFNSNUMSEPLBBJ-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(N(CCCl)CCCl)cc1C 1621642 PGUYSZZOOPCOPM-LPYMAVHISA-N 410.301 4.946 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C#N)cc3)c2)cc1 20197890 YCZWCOCYNRSDCI-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC)cc1 59224542 NPWVOUIULAPELB-RVDMUPIBSA-N 415.287 4.792 50 40 HJGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1 59335081 VVEOQDZPFTVZGE-STZFKDTASA-N 413.477 4.874 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 252492023 MBBQBLQXNAZSNY-FOWTUZBSSA-N 417.421 4.971 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408870329 UKFRZWTVSPTLNR-WLRTZDKTSA-N 405.679 4.965 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409241016 MWGZOEXVYICWBF-UHVIJJLKSA-N 417.421 4.648 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccccc1 5584517 KWFJKYKEGVKQEJ-QLGFWARVSA-N 411.461 4.932 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccccc1C#N 8812486 XRXLCBLYFMRXKT-RWPZCVJISA-N 410.452 4.773 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCc1cccs1 8861761 IMDQKHWXOKUIGA-GXDHUFHOSA-N 413.296 4.994 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 13809814 DKWWEYYUXQBYME-UYRXBGFRSA-N 416.456 4.737 50 40 HJGB CCCCCOc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851908 JRIAUUOFDOMHKZ-WMZHIEFXSA-N 416.525 4.858 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 58917048 KATSOMDDAOSLCW-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408791841 DHOFXPKGEHSLEV-NBVRZTHBSA-N 400.434 4.571 50 40 HJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408936126 OJRQXXGZWOKTQB-BRJLIKDPSA-N 421.806 4.679 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 1250855 CUGJBDHRFZWTEZ-JVWAILMASA-N 411.505 4.836 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 2056179 YSXWGARQIZBDLC-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCCC)cc1OCC 6324340 QZEMQWCWPAFJHU-IWIPYMOSSA-N 416.905 4.856 50 40 HJGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 9187076 UDSBSNUHLGMLFL-NTUHNPAUSA-N 416.264 4.876 50 40 HJGB CC(/C=N\NC(=O)COc1c(C)cc(C)cc1Br)=C\c1ccccc1 30902103 SUZKRBKWRATKRA-YLIAIXHXSA-N 401.304 4.650 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CCCc1ccc(OCC)cc1 32112050 IEBLUGITYSXWCY-ZXVVBBHZSA-N 414.505 4.724 50 40 HJGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc(Br)ccc1O 408727900 YEQPKPQEWYPUQF-UFFVCSGVSA-N 419.662 4.832 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 408847824 SKPIJNHKXHLRRW-QGOAFFKASA-N 417.396 4.859 50 40 HJGB COc1c(Cl)cc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl 408887710 QMVXFFQLTVHEHC-UFWORHAWSA-N 402.075 4.528 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408908868 SRUZXXFYAFPJLS-CFRMEGHHSA-N 416.437 4.821 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cc(Cl)cc(Cl)c1 409195269 GXAOGURJXVGQDS-QDGSLSSCSA-N 418.324 4.603 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)[C@H]2Br 2666650 KDJJWYOMSAPXJR-MAZHCROVSA-N 401.142 4.977 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OCC 3660936 LCNZBVJAIQTVKZ-HZHRSRAPSA-N 418.946 4.936 50 40 HJGB CCOC(=O)c1sc(NC(=O)c2cc3cccc(OC)c3o2)c(SC#N)c1C 8960561 YSGJQRRIFXDWNH-UHFFFAOYSA-N 416.480 4.814 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1cccc(C(=O)O)c1 408544846 XWOPUDWSGSXYPG-ODLFYWEKSA-N 416.408 4.649 50 40 HJGB COc1cccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)c1 408729411 ZNARQSCCUNSDMS-MXAYSNPKSA-N 405.885 4.633 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)cc1 408964915 INONHOOGWFJZBC-FSJBWODESA-N 417.377 4.568 50 40 HJGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 409227978 YMDKXRXIOPWQGX-VYYCAZPPSA-N 403.432 4.661 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)c1 4710702 SCUFPAMSUUMHKM-MOSHPQCFSA-N 413.477 4.955 50 40 HJGB CC(=O)NC1=C(C#N)[C@@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O1 36612755 ZVCFQMDLLQIOID-FQEVSTJZSA-N 419.278 4.998 50 40 HJGB COC(=O)[C@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)NC(=O)OC(C)(C)C 195847030 BPHHRKYVWXIBMQ-KRWDZBQOSA-N 409.599 4.679 50 40 HJGB in-vitro COc1ccc(CC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 208261784 LXMRQPWYXYWYGO-XFRWHIHTSA-N 413.949 4.763 50 40 HJGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c(C#N)c1C 408546383 IPRKGSZXZGSQMP-LICLKQGHSA-N 422.506 4.611 50 40 HJGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 408753709 HIIMHBRXZYLUPJ-WQLSENKSSA-N 406.077 4.757 50 40 HJGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)sc(C)c1C 408998946 QXPULHJHAFJGAQ-CFRMEGHHSA-N 423.538 4.713 50 40 HJGB COc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1 409080259 MMQICAPNXWXUNI-QFEZKATASA-N 408.885 5.000 50 40 HJGB N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NC1CCCC1 872828 UBCZKHDSERQJFZ-OBGWFSINSA-N 417.484 4.825 50 40 HJGB CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 5511833 SHPKHRMFUBCDJU-IBUSPFOHSA-N 408.885 4.757 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccccc1 5584512 KWFJKYKEGVKQEJ-XIGQODMASA-N 411.461 4.932 50 40 HJGB N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCCO2)C(=O)Nc1cccc2ccccc12 96310777 OXXFKNSWTDBMPA-LDADJPATSA-N 422.444 4.547 50 40 HJGB O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1 408766460 QYMLNZZRJXMGJT-ZMOGYAJESA-N 404.857 4.559 50 40 HJGB CSc1nc(NNC(=O)c2cc3ccccc3o2)c2c3c(sc2n1)CCCC3 2346932 XOAQUVOKOXMUKL-UHFFFAOYSA-N 410.524 4.795 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1C#N 9201788 TUUZQSOLUMQILG-VULFUBBASA-N 403.869 4.863 50 40 HJGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408754873 OVRMMEWANCNZID-SSDVNMTOSA-N 410.886 4.719 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c(OC)c1 408867752 MWROKUCJZSKTNZ-SFQUDFHCSA-N 420.490 4.671 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)c1C 409199638 CINGXUUWMKHYFO-HMAPJEAMSA-N 412.493 4.651 50 40 HJGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl 409387091 NPXHZJVIOUJTGN-BRJLIKDPSA-N 421.372 4.773 50 40 HJGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3)ccc21 4179885 FPDHUKDTFWENFJ-WPWMEQJKSA-N 412.493 4.949 50 40 HJGB CCCCC(O)(CCCC)C(=O)NN(C(=O)c1ccccc1)c1ccc(F)cc1 4857191 FAFGRDLSBFZINH-UHFFFAOYSA-N 400.494 4.615 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 14151996 DVAIJDUFRQHSIZ-LFIBNONCSA-N 421.522 4.842 50 40 HJGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](C(=O)O)N2 229911855 PCNNYBRPMHVQJI-MIUYYNPUSA-N 418.902 4.654 50 40 HJGB CCOc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1OCc1ccccc1 408824967 BWCHLWSYPJIHRD-PCLIKHOPSA-N 420.534 4.907 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC(=O)c1cccc2ccccc12 408900353 VHFPFMGOBMGCKM-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c1 408997557 HDUJTDWNUYUWRX-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1ccc([N+](=O)[O-])cc1 409066632 PDIVOCWVPQMCCO-NDENLUEZSA-N 400.390 4.936 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1106119 GZTMQOLWRUYCQB-YZSQISJMSA-N 400.526 4.767 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CSc2cc(C)c(Br)cc2C)cc1 3226658 ULURCNDBCDRPTJ-SRZZPIQSSA-N 421.360 4.707 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCCC)c(Br)c2)cc1 20198171 XFUQVTSJAFAXLM-HYARGMPZSA-N 419.319 4.791 50 40 HJGB C=CCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 23723928 FGOJDUTXMOLCDD-CXUHLZMHSA-N 417.292 4.790 50 40 HJGB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 108422591 VMVLMTRIJBEWMZ-HKWRFOASSA-N 402.325 4.777 50 40 HJGB COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1 408586997 DKHRVLMEQDGUKQ-JFLMPSFJSA-N 415.468 4.910 50 40 HJGB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43CI)[C@H]1CCC2=O 627260141 WHAGMEOCNIRULZ-RFLLJTPXSA-N 412.311 4.503 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccccc1Br 4738865 IVDSPUJYNFLOFG-CIAFOILYSA-N 402.679 4.657 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1 4975319 VSOMJJOPDUKDHW-QINSGFPZSA-N 402.406 4.508 50 40 HJGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCC 7385629 BEUQPTMCMXQYAM-NLRVBDNBSA-N 421.541 4.577 50 40 HJGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccco1 9959332 MZGVCHJAWWZYDH-DHRITJCHSA-N 416.355 4.523 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408724682 GUKZADRRSOLWOV-ABZVSAKDSA-N 401.850 4.785 50 40 HJGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c1 408995141 JKJATTATSNZILS-DHRITJCHSA-N 409.917 4.893 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccccc1 409072007 ADYYLAFZPXXNFF-HMMYKYKNSA-N 405.475 4.917 50 40 HJGB O=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)C(Cl)Cl 3109700 UJLVGWITIVXBPP-UHFFFAOYSA-N 423.063 4.525 50 40 HJGB CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1I 34690453 LQCPVLWGWIHTFA-ZSOIEALJSA-N 420.206 4.662 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)c1 408745143 KDSIAYSESDYTGT-UVTDQMKNSA-N 419.393 4.505 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1ccc(Cl)cc1 408926900 YZMXYNJVFVPCBH-SFQUDFHCSA-N 419.868 4.991 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)c(OC)c3)n2)c1 2229338 QUJWGKUNYDHRME-NTCAYCPXSA-N 423.494 4.821 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1 2241514 ULYHDMZQJNMFIC-GOSISDBHSA-N 411.527 4.767 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/C=C/c1ccc(Br)cc1 4550185 KQVFEJMIKZETAK-BAQHSMLZSA-N 408.299 4.830 50 40 HJGB Cc1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c(C)c1 4694164 OSPMCBTWXZMNNN-OYLOOFRXSA-N 402.454 4.954 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4cccc(C)c4)CSC3=C2C#N)cc1 4922802 SLKQQTPUFXKVAL-HXUWFJFHSA-N 405.523 4.613 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408843737 TYYUEPSLDDNIIM-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OC 408885183 YFFHWQYBCZMFKU-ZVBGSRNCSA-N 401.677 4.818 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c1 409362307 IWDHDLPUVQWWPB-MUFRIFMGSA-N 420.516 4.871 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Cl)cc1 409368172 OFAKUKILHDGZAY-CPNJWEJPSA-N 410.901 4.847 50 40 HJGB O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 3067308 VMFNIOPZUSJFRJ-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c1 6056581 WXPFTNBTUCWERY-DLBLZJNESA-N 424.456 4.719 50 40 HJGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC 20764857 ZOKFOBDJIMQWJC-OEAKJJBVSA-N 404.894 4.690 50 40 HJGB CCc1cccc2c(C(=O)/C(C#N)=C\c3ccc(OCc4nccn4C)cc3)c[nH]c12 98008672 CDYJCONYJUKZFV-UYRXBGFRSA-N 410.477 4.833 50 40 HJGB O=C(CCCC[C@@H]1CCSS1)N1CCC(Oc2ccncc2Cl)CC1 390827472 YGUOSPTXRAUYNT-OAHLLOKOSA-N 400.997 4.819 50 40 HJGB O=C(NN=C1CCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408973665 NWGKWIMFYKUBKT-DEOSSOPVSA-N 421.566 4.553 50 40 HJGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 1855518 FOIPTIBVVHUKGA-OAQYLSRUSA-N 410.514 4.715 50 40 HJGB CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(O)c(OC)c2)nc1-c1ccccc1 4980852 RDVWSGXYJIIPCL-LFIBNONCSA-N 405.479 4.937 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 20197443 XBSXKLFEHCZTGM-YDZHTSKRSA-N 411.389 4.547 50 40 HJGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473332 KSHQXIYZLAPGNP-BUVRLJJBSA-N 404.491 4.529 50 40 HJGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccn1 408991106 ZBXVKKXJKSLRIF-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB COc1cccc(CC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)c1 408993736 FKLCBLMZPYCZAC-YUMHPJSZSA-N 411.505 4.699 50 40 HJGB FC(F)(F)C(F)(F)[C@@](F)([C@H](Br)CBr)C(F)(F)F 1565657662 VLFYBSVEZRHACY-GBXIJSLDSA-N 405.880 4.613 50 40 HJGB Cc1ccc(-n2nc(C)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 808866 MHACVJAQYRPSHW-IBGZPJMESA-N 422.916 4.593 50 40 HJGB aggregator O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)[C@@H](O)c1ccccc1 1105621 MVQHTWOZXLJTLC-YYYGAUAXSA-N 410.473 4.603 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 30822103 QZMMLNXSYSZNCT-MYYYXRDXSA-N 422.868 4.722 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 33697691 QWUAASVKKDPAFF-FOKLQQMPSA-N 416.264 4.976 50 40 HJGB N#C/C(=C/Nc1ccc2c(c1)OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1 100840050 RPFIDYRVCFMINZ-UVTDQMKNSA-N 415.430 4.622 50 40 HJGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C 409001914 XVYBODOQLPZZJK-DHRITJCHSA-N 409.917 4.893 50 40 HJGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 409189763 IIOHUFBVMFRDKM-MSXFZWOLSA-N 422.824 4.897 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 409363278 LFUHJDFBJJTYIH-YDZHTSKRSA-N 411.845 4.763 50 40 HJGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1 409373670 YRDADJDAZATMNW-OAQYLSRUSA-N 405.498 4.760 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 1895303 FLWQHRCSXITLQT-SDNWHVSQSA-N 408.439 4.712 50 40 HJGB CCOC(=O)/C(C#N)=C\c1[nH]c2ccccc2c1N(C(=O)CCl)c1ccccc1 4825684 OAFMVPRDGJAKAH-QINSGFPZSA-N 407.857 4.541 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1Cl 7893989 VKPBDZONDSPWNJ-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C1CCCCC1 101547600 NMLRGULWTIUSBM-NLRVBDNBSA-N 407.514 4.667 50 40 HJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Br)s2)c1 408994003 FBQAMCVTNGYZAD-RGVLZGJSSA-N 402.317 4.682 50 40 HJGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C)c3)o2)cc1 409062861 CADHOHPSJHQRQH-PCLIKHOPSA-N 404.466 4.976 50 40 HJGB N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)Nc1cccc(C(F)(F)F)c1 409229073 JJQKRFJDXRVKKN-WMZJFQQLSA-N 411.723 4.518 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(F)cc1 7893934 UAJCARTTXVXOGB-DHRITJCHSA-N 412.848 4.831 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1CSCc1ccco1 17088934 ARKFFAJFHATNEH-OQLLNIDSSA-N 411.508 4.724 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)S(=O)(=O)c1ccccc1 27016968 RQDYIHKAOXQJMJ-XSFVSMFZSA-N 417.515 4.939 50 40 HJGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 28215894 FRNNVDLWARXADB-DHRITJCHSA-N 409.530 4.925 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccncc1 59447260 PTOUKYQSVIRSQV-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB CCCCCCCn1c(O)c(C(=O)N/N=C/c2ccc(F)cc2)c(=O)c2ccccc21 135662552 YEGFLLMLTKFJHR-WGOQTCKBSA-N 423.488 4.581 50 40 HJGB N#C/C(C(=O)Nc1ccccc1)=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 145592711 RMQSVQXKZZBMGV-LSDHQDQOSA-N 413.864 4.803 50 40 HJGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1 408728297 JMUNJZRJEKHQDA-MXAYSNPKSA-N 405.885 4.633 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC 408819425 QSXMOYQRXZDGFW-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 408955444 XHUPZSYKGKNTQA-YZSQISJMSA-N 412.493 4.657 50 40 HJGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc4c(c3)OCO4)sc2c1Cl 408969638 RJDLPIBDCNYVCZ-YXSASFKJSA-N 423.277 4.709 50 40 HJGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)ccc1Br 408999600 RJUZAYPNHGNUNX-SRZZPIQSSA-N 400.276 4.522 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 1191765 RSQYWUQXBGLNQS-HKWRFOASSA-N 414.509 4.714 50 40 HJGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1 3058877 BBZQPESQDBIATP-FCMREFMGSA-N 404.853 4.723 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1F 408814793 HSBQZVYVSCCVAX-UYRXBGFRSA-N 416.408 4.649 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(C)cc1 408888490 WACGPPCIPSUQAI-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB N#CC(C#N)=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 408987579 BHUNTPMWJKGVTG-UHFFFAOYSA-N 409.408 4.694 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 409366006 XJFAFAMXGPHNOQ-YDZHTSKRSA-N 411.845 4.763 50 40 HJGB COC(=O)c1cc(NNC(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)ccc1F 1634533301 QQMDUIBNVROWAW-JOCHJYFZSA-N 419.456 4.593 50 40 HJGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(Br)s1 1445108 ZPXGMGGQZWHSPY-DQAKUKQTSA-N 403.301 4.581 50 40 HJGB COc1cc2nc(/C(C#N)=C/c3cc4ccccc4nc3Cl)nc(O)c2cc1OC 15906500 FTFWRHLSIXSDJP-RIYZIHGNSA-N 418.840 4.618 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N\NC(N)=O)[C@@]4(C)CC[C@@H]32)C1 118913931 GFJOPLHDGOHLPB-YSCYYDTPSA-N 415.578 4.541 50 40 HJGB biogenic,in-vitro Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)cc1 408926882 YXSUBSXGIUUQJN-LDADJPATSA-N 419.868 4.991 50 40 HJGB Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 409103739 BQRBKJCRKQBRCT-WJDWOHSUSA-N 416.308 4.684 50 40 HJGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1 409163000 KLQBEBKUNQJPJP-BRIUQDKPSA-N 421.500 4.805 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(C(=O)O)c1 6884564 YDSFWWOVUQTXMM-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 13625544 HCNZPKZVQQPQQW-GXDHUFHOSA-N 416.808 4.618 50 40 HJGB COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2C 17090305 KEXNIXUYMIZJPI-RVDMUPIBSA-N 415.474 4.725 50 40 HJGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 107737936 BVLSSSTVVVCCKD-JMIUGGIZSA-N 403.847 4.626 50 40 HJGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408866146 FYBNUSZWWSJZIM-LICLKQGHSA-N 421.294 4.882 50 40 HJGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 409392368 PKJRJSNJUHNWAM-WPWMEQJKSA-N 424.456 4.927 50 40 HJGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)cs1 1085492 UXVCFFNULFGYLC-QDBSGRMGSA-N 403.301 4.581 50 40 HJGB COc1cc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)ccc1OC(C)C 1294997 YVOKFJMXLDQRGO-AFUMVMLFSA-N 403.482 4.672 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1 6332414 VDNIUMPJRYOBSW-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccnc1 32116866 OVASVWIYIMPOMY-JJFYIABZSA-N 412.858 4.558 50 40 HJGB COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1 54216594 OVFDQTKUZGOQRP-GXDHUFHOSA-N 412.371 4.650 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1 59266416 UFSHSXXDOVSIST-SZHLLGMXSA-N 414.461 4.908 50 40 HJGB CCCCCCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 100968801 JLVRSORCWTYKMS-VCHYOVAHSA-N 420.145 4.728 50 40 HJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 1084721 XHZXWZNAYQTOCK-WSDLNYQXSA-N 401.235 4.541 50 40 HJGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CSCc2ccccc2)cc1 5603545 JDHQRAGHGFYQDT-ZMOGYAJESA-N 404.491 4.613 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 9028404 LZPIUNLWNBPIOO-CPELGESMSA-N 400.862 4.575 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1 409272248 FNFBFOBKIREOHK-CPNJWEJPSA-N 404.470 4.685 50 40 HJGB COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)[nH]c2c1 409391561 JSDZUMUHJPSSGU-GZTJUZNOSA-N 413.437 4.951 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc3ccccc3o2)c(OCC)c1 1911727 NDTBVUGUWIOXIC-GZTJUZNOSA-N 405.406 4.521 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C 34744956 RTPARUZKQCOPDP-ZDLGFXPLSA-N 418.409 4.983 50 40 HJGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C 58928098 QUWMTKMXIXYPFQ-DHRITJCHSA-N 409.530 4.925 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC#N 59336063 BDJLULDEFWLOAD-UVTDQMKNSA-N 416.264 4.840 50 40 HJGB COc1ccc(OCC(=O)N/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 223547666 DVNVFYHZCHURQT-WTTSBOSASA-N 423.557 4.725 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C 408567272 CTMJSYNGNSARGH-BOPFTXTBSA-N 414.440 4.960 50 40 HJGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2O)c(Cl)c1 408742816 YGSYDEACXQENMC-FOKLQQMPSA-N 402.281 4.870 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1190155 IMYMVMLRFFOKHW-QGOAFFKASA-N 416.437 4.557 50 40 HJGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 3251208 CEHKWXXBRZDLRW-JVWAILMASA-N 424.456 4.881 50 40 HJGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C(O)[C@@H](C#N)C12CCCCC2 9014952 XQWCWWRDLOBQNT-OAHLLOKOSA-N 414.918 4.807 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)OC(C(F)(F)F)=C2c2nc3ccccc3o2)cc1 16216481 PEFROHCFBZYXEV-INIZCTEOSA-N 413.355 4.618 50 40 HJGB COc1cccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)c1 36056552 KHWFGGNORPUQMU-MKMNVTDBSA-N 409.423 4.505 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1Cn1nc(C)cc1C 44790543 GHCWUBJCXRNVOQ-UDWIEESQSA-N 422.573 4.795 50 40 HJGB Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408590906 RJFXGXUSHKIRMG-VWXZLZIGSA-N 416.308 4.585 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1ccc(N2CCCC2)cc1 408677163 PSCXAOZKNPLYBP-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(OC)c1 408974060 WPTNYZZCFQHYQF-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 7385673 SQMNBTVOEPRFSI-OVVQPSECSA-N 413.521 4.938 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 14134466 XSFHJCOOLCWUQM-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB Cc1noc2nc(-c3ccco3)cc(C(=O)NNc3ccc(Cl)c(Cl)c3)c12 32888152 DFAZGXONGQTXHY-UHFFFAOYSA-N 403.225 4.855 50 40 HJGB COc1cc(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OC 408567265 CSRPKHUAYQAMAQ-WZUFQYTHSA-N 402.223 4.546 50 40 HJGB Cc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc(Cl)c2)cc1Cl 409010091 DGQFTWPFDHDJHD-FMCGGJTJSA-N 402.281 4.622 50 40 HJGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1 409330492 AWDWGOPOUQXJRM-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccccc1C 4675838 QRSXNYNAXKOUPF-OVVQPSECSA-N 400.482 4.873 50 40 HJGB N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 11853113 SGGOOHPNXXUVQT-FMIVXFBMSA-N 411.374 4.742 50 40 HJGB N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1ccccc1Br 48332109 LBIGCYQJOAHCGK-UITAMQMPSA-N 412.106 4.819 50 40 HJGB CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CCn1c3ccccc3c3ccccc31)C2=O 101102963 QZGRWQTUKOILIZ-SEUXFCFQSA-N 401.510 4.682 50 40 HJGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408872062 JVRRFJHOEDVLSO-NTEUORMPSA-N 404.775 4.916 50 40 HJGB COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c1 409142113 BIEYWMOSMOJEMM-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2c1 409238046 BTPQEPALBACYHU-HKWRFOASSA-N 400.478 4.513 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1 4922766 MKNFVPXOJZSSGE-NRFANRHFSA-N 419.550 4.922 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1 5176135 IGZUDORSIAHEFJ-NRFANRHFSA-N 408.461 4.847 50 40 HJGB Cc1cccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 6523068 MANTYYIOEGZMJO-UHFFFAOYSA-N 412.518 4.842 50 40 HJGB CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408798432 IHUKIASHTLKLAG-OQLLNIDSSA-N 414.845 4.738 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(C)cc3)o2)ccc1Cl 409199962 GCHRPOKFGHDWMT-ZMOGYAJESA-N 410.857 4.849 50 40 HJGB COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccc4ccccc34)c2c1 871136 KMTOIKNAQOBOII-AFUMVMLFSA-N 415.518 4.947 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 9311472 CFSIZFGIKFDAIY-WYMLVPIESA-N 416.462 4.861 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1 48573663 SPTOZFBCYWKEBY-MFKUBSTISA-N 408.885 4.620 50 40 HJGB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N/N=C/c5ccc([N+](=O)[O-])cc5)(C4)C2)C3)cc1 100489975 KQIUUWBCHDIDOX-KKCXOLOASA-N 417.509 4.892 50 40 HJGB CCn1c(C)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408529471 JSJYEVWKOQYCFM-RPPGKUMJSA-N 402.420 4.551 50 40 HJGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408868003 MUYNVJIXTKBUGC-XNTDXEJSSA-N 402.372 4.824 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1 409065510 SWDQBIBBSQMRSP-NTEUORMPSA-N 424.819 4.616 50 40 HJGB Cc1cc(C(=O)N/N=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)[nH]n1 4112929 YMIXAWLLKYKQQA-TUGWBUAJSA-N 416.363 4.622 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccccc1Cl 4177315 YDQZXLRLJRRZDS-JOCHJYFZSA-N 404.853 4.843 50 40 HJGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1 5205809 UFTLHWWLKJGJGL-BUVRLJJBSA-N 406.507 4.760 50 40 HJGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccccc3)nc12 9192317 DRARDKYAJRLGIP-SAPNQHFASA-N 419.444 4.736 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccccn1 16695267 SADOHPTVHIDREZ-XMHGGMMESA-N 406.445 4.770 50 40 HJGB C#Cc1cccc(Nc2ncnc3cc(OCCCl)c(OCCCl)cc23)c1 59671491 OPZQXOBOVGSGMM-UHFFFAOYSA-N 402.281 4.590 50 40 HJGB in-vitro O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] 408599361 SZVPPLVYNNNWKZ-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1O 408858287 YBPZGFJGFLYCCT-VZUCSPMQSA-N 422.224 4.552 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1 408890146 OQJBVHHPNJVBBT-XDHOZWIPSA-N 400.409 4.899 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 409272075 OIOSOYUIQRAYAV-VULFUBBASA-N 401.441 4.601 50 40 HJGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(-c3ccc(F)cc3)o1)CO2 8306347 MALVKALVTOCSNM-YICJJFKUSA-N 422.456 4.673 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1cccs1 20922025 WXTAXIQTZWXHBH-SFQUDFHCSA-N 418.474 4.830 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 110217679 ZFKQBHCNQBWECD-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1 408591405 SURNHQWECNXOLK-AFUMVMLFSA-N 409.917 4.757 50 40 HJGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408724687 GUKZADRRSOLWOV-MHXJAFHZSA-N 401.850 4.785 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C 408802861 IJMZSDFMLAMOHA-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1 408959867 HEJJOYJERVRTIQ-NLRVBDNBSA-N 400.526 4.848 50 40 HJGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1C 409369691 DYGGKHQODZQZJF-VCHYOVAHSA-N 408.889 4.817 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 627260132 SMJCXQBAPTXOIC-ZDPVWBBSSA-N 409.364 4.823 50 40 HJGB O=C(N/N=C/c1cccc(F)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2301260 OQGPACMSNMCAQC-DHRITJCHSA-N 417.267 4.519 50 40 HJGB Cc1ccc2c(c1C)NC(=O)/C2=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl 17091338 SWMQRUDNWCWXDJ-UHFFFAOYSA-N 418.305 4.911 50 40 HJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 409127057 QASBRDYNJMGOPT-OAKZWBAKSA-N 418.518 4.845 50 40 HJGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cccc23)cc1 105844178 RNSFREOFCSICLG-CVKSISIWSA-N 410.477 4.866 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)nn2-c2cccc(C)c2)cc1 408724034 CRODFWSNTGUICW-BUVRLJJBSA-N 400.507 4.982 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1 408760894 ASKHPNCNMZPJBH-MSXFZWOLSA-N 416.308 4.930 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)CSCc3ccc(C)cc3)c(Cl)nc2c1 408862375 YGMAONAWJGKVQP-FOKLQQMPSA-N 413.930 4.589 50 40 HJGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CCCC2=O 409132186 NLEZOAYSSMSVII-QFIPXVFZSA-N 419.912 4.649 50 40 HJGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@@H](O)c1ccccc1 409147486 ZGKCSBXNQMHBCE-YYYGAUAXSA-N 410.473 4.603 50 40 HJGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)[nH]c2c1 409391998 MOXRYXUBJLHJCK-MFOYZWKCSA-N 412.449 4.772 50 40 HJGB Cc1ccc(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1 4551009 WYHASCONFXTGQI-QFEZKATASA-N 413.433 4.739 50 40 HJGB C/C(=N\NC(=O)COc1cc(C)c(Br)cc1C(C)C)c1ccccc1 5361656 NCJSZNINBPGOFG-PXLXIMEGSA-N 403.320 4.800 50 40 HJGB COc1ccc([C@@H]2[C@@H]3C[C@@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 27241434 HIMCHXQWQSFCCM-BPUDTRNYSA-N 406.489 4.683 50 40 HJGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 33722294 FSVVZOFCXIBPPW-SSDVNMTOSA-N 418.236 4.854 50 40 HJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCC[C@H](C(F)(F)F)C1 45440142 UKBRPBFWJBKYIS-IONNQARKSA-N 404.742 4.501 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 58917031 VSPVXJSAXLJLJQ-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2cc(C)cc(C)c32)cc1 104766000 ABRDUEJTWQGYBJ-NRFANRHFSA-N 416.477 4.807 50 40 HJGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OC 209399693 IIESXUHQNHITBM-OVCLIPMQSA-N 405.235 4.681 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c(C)c1 408745304 QZTJPUCMJLXYKB-AQTBWJFISA-N 400.434 4.896 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408863581 NPHOZENQVIHRMM-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Cl)c1O 409392809 SCNNIMLDKPNXHC-MYYYXRDXSA-N 408.885 4.727 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1OCc1ccccc1 1435714 IUDPECUICIRBNF-OTZYPNAKSA-N 418.493 4.502 50 40 HJGB CCOC(=O)c1c(NC(=O)N/N=C/c2ccccc2Cl)sc2c1CC[C@@H](C)C2 1768831 QDFDNPLERKAXKF-VTGBELTLSA-N 419.934 4.859 50 40 HJGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccccc1I 3254379 FIZORQJXKMGBHG-FOWTUZBSSA-N 424.241 4.990 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc([N+](=O)[O-])c1 4806933 DXBSALOZTVMFFZ-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)CNc1ccc2ccccc2c1 14920889 PKIUTDWPZIZQGT-WGARJPEWSA-N 417.900 4.550 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1 59960050 GFZFHZPSNBQFDK-CVKSISIWSA-N 416.525 4.615 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCc1ccccc1Cl 83292865 MFQVZRJEZQFOFX-QFEZKATASA-N 424.884 4.787 50 40 HJGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 408789194 HMSCHJCVWPXNJU-NTUHNPAUSA-N 405.679 4.965 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)O 409392097 KXNBARFVKBILFH-NSIKDUERSA-N 420.234 4.514 50 40 HJGB C/C(=N\NC(=O)COc1cc(C)c(Br)cc1C(C)C)c1cccs1 6922012 SOWMVZMHGFWORF-DEDYPNTBSA-N 409.349 4.862 50 40 HJGB CCn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 33352580 BXQKIFPHSXAQKK-JJFYIABZSA-N 410.271 4.934 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1O 408799232 YLGFAMRYPXRFMM-XSFVSMFZSA-N 414.461 4.916 50 40 HJGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cccc([N+](=O)[O-])c1 409078976 JVNKGLMFWQEVEZ-QFEZKATASA-N 419.481 4.532 50 40 HJGB O=C(N/N=C/c1ccc(Br)cc1)C1c2ccccc2Oc2ccccc21 830482 RXULRWBXUMQEPG-YDZHTSKRSA-N 407.267 4.837 50 40 HJGB CCn1cc(/C=N/NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c(C)n1 1005661 IJEIUYLDMUPBEV-VULFUBBASA-N 413.525 4.595 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1ccccc1C 4677303 SYVQIQBMTCOCDK-NLRVBDNBSA-N 418.493 4.615 50 40 HJGB O=C(N/N=C/c1ccccc1Cl)c1csc(N/N=C/c2ccccc2Cl)n1 8694791 ZNXJXHHJGQRQIE-VGENTYGXSA-N 418.309 4.660 50 40 HJGB CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OCC 59473108 HVZBBXZKSSOSER-CYGNYLSHSA-N 406.935 4.768 50 40 HJGB CSc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4F)CSC3=C2C#N)cc1 2225908 UKSKPISLZMMBML-INIZCTEOSA-N 411.527 4.767 50 40 HJGB COc1ccc(/C(C)=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c(OC)c1 4833889 GRMLSQFFYIDWBT-FELXSTKCSA-N 414.505 4.550 50 40 HJGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H](Br)C[C@H]4[C@@H]3CC[C@@H]2C1 123438344 VJGLIYQCQCELBZ-DYWXUXGFSA-N 411.380 4.903 50 40 HJGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)C(C)(C)C 408781775 DNQBUTKJZAHXOS-ZHNJOBQTSA-N 409.555 4.613 50 40 HJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)cc1 408801808 BWKITCSHSYUJRN-HYARGMPZSA-N 423.472 5.000 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OC 408896581 ONZFKJGTBDSDLU-RIYZIHGNSA-N 415.833 4.510 50 40 HJGB CCOc1ccc([C@@H](CO[Si](C)(C)C(C)(C)C)N[S@](=O)C(C)(C)C)cn1 953019707 LVOQPODXLJKNOC-PUAOIOHZSA-N 400.661 4.595 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 9201447 GLGFZOZNJBNYNB-YDZHTSKRSA-N 410.315 4.929 50 40 HJGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 15931154 PLVPTDWDAXPPEJ-CIQDORQPSA-N 422.485 4.642 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1 223165609 SCTDXIKOUBXQIN-UYRXBGFRSA-N 401.466 4.657 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(C(F)(F)F)c1 408963373 NQWHCLUVXILSDA-KSEXSDGBSA-N 403.316 4.638 50 40 HJGB O=C(Cc1cccs1)N/N=C/c1ccc(OCCOc2ccccc2Cl)cc1 409204284 FGEUFWYCBMPRTK-HZHRSRAPSA-N 414.914 4.552 50 40 HJGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 409309106 BNOQYNUXUYZZJX-ONUIUJJFSA-N 416.477 4.603 50 40 HJGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 3659680 AKKSYBSQUAJMFK-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1cccc([N+](=O)[O-])c1 13646373 QBXZIQNGRXLAQR-JLPGSUDCSA-N 400.438 4.633 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC 39884642 DLOPKXNUGBDXPV-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408796958 QNRYIOLYLRSBAU-UDWIEESQSA-N 424.416 4.591 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1 408959973 BHBRLNVLXBUPOA-NVMNQCDNSA-N 422.444 4.962 50 40 HJGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 6209411 LLNHMKFXBNMIAW-GXDHUFHOSA-N 403.251 4.923 50 40 HJGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2c(=O)[nH]1 6657790 DCJHRUPTPTVUCS-XDJHFCHBSA-N 415.456 4.840 50 40 HJGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccccc4Cl)cc3C2)cc1 33761824 MPTXZWVEIAAASB-MXAYSNPKSA-N 405.885 4.633 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCc1ccccc1 408741333 PDHCSLCFGORJCV-YBEGLDIGSA-N 406.825 4.522 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408795832 NGKAYKMCJXFWSB-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc3ccccc23)o1 408886065 HRRRTUOIQRTXLN-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2906503 NWXOYBMKWIJGIN-RVDMUPIBSA-N 405.439 4.653 50 40 HJGB CN1/C(=C(\C#N)C(=O)CSc2nnc(C3CCCCC3)o2)Sc2ccccc21 6985083 ROGBJAQQANJFPV-RGEXLXHISA-N 412.540 4.756 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC(C)=O 12140001 PULOROKBIFBQTP-LZYBPNLTSA-N 424.453 4.956 50 40 HJGB CO[Si](CCCCCCCCCCCI)(OC)OC 198066000 YMSVHJRYXGJXDO-UHFFFAOYSA-N 402.389 4.810 50 40 HJGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc2ccccc12 3088640 UKGOXABGJLPQOM-FSJBWODESA-N 400.265 4.626 50 40 HJGB C/C(=N/NC(=O)[C@H](C)Nc1ccc(Cl)cc1C)c1ccc(Br)cc1 4647035 ZISJBMAALUZZHK-QGNWGPJTSA-N 408.727 4.752 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccccc1 5584509 KWFJKYKEGVKQEJ-BWEVXBNQSA-N 411.461 4.932 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1 408886814 MKFNVRMHQSMNOP-HMMYKYKNSA-N 412.445 4.850 50 40 HJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 409152376 FDIMEJFWNSZKLM-BUVRLJJBSA-N 421.453 4.645 50 40 HJGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc(Cl)c1 3080436 RZEMYKOSYWUXQS-WSDLNYQXSA-N 401.691 4.949 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 20764448 GIVRMVPNIHRFNJ-PCLIKHOPSA-N 405.498 4.655 50 40 HJGB N#CCC[C@H]1CCCC/C1=N\NC(=O)CSCc1ccccc1Br 59953590 JVXHFIOGLNNLEA-LQFHHUIYSA-N 408.365 4.648 50 40 HJGB CCOc1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 408730112 NKBHMCBTGAKWMI-JFLMPSFJSA-N 413.521 4.986 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408740359 FUJOFIJZSSCNMW-OEAKJJBVSA-N 409.283 4.931 50 40 HJGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408818528 VVOWZAOACWKINO-FOWTUZBSSA-N 403.394 4.718 50 40 HJGB CCOc1cc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1O 4318595 ZITLAWHNEGZRAG-NTEUORMPSA-N 411.508 4.998 50 40 HJGB CCN(CC)C(=S)SC/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccc1 18192316 RGMSDSZNIHQTEY-RELWKKBWSA-N 420.003 4.834 50 40 HJGB COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4ccccc4)C3)C2)cc1 100225954 ZTITVMAWCLHQTQ-NIJFZYLESA-N 417.509 4.721 50 40 HJGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccs1)oc1ccccc12 100929992 QECJAIDNMCFZNJ-ZMOGYAJESA-N 421.478 4.791 50 40 HJGB COc1cccc(/C=N\NC(=O)Cc2ccccc2)c1OCc1ccc(Cl)cc1 409082463 JFOSDRHVDKLFCD-MYYYXRDXSA-N 408.885 4.620 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3090239 BKUQEDLYBNAGGO-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB CCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1 32522830 AIXBITYRJBFNNC-HZHRSRAPSA-N 410.543 4.764 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 33780515 AMCGEKHJVBWCHG-BRJLIKDPSA-N 415.371 4.688 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1F 408878156 XENUDUBPUGSLSZ-XDHOZWIPSA-N 402.425 4.676 50 40 HJGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)c2)cc1 408895504 KXSMAJBQSPNQJE-DEDYPNTBSA-N 412.445 4.818 50 40 HJGB N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(N)=O 408896071 PBEHYCWFYPZRKK-LFIBNONCSA-N 407.267 4.574 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)CCSc3ccc(C)cc3)c(Cl)nc2c1 409142464 KMEFKTHXVMUZKY-YDZHTSKRSA-N 413.930 4.838 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(Br)cc1 9216217 BALJAMDCIWFQJU-JAIQZWGSSA-N 420.357 4.691 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)c(OCc3ccccn3)c(C)c2)cc1 98006925 PRSZBSXOLYRUCW-ZHZULCJRSA-N 413.477 4.832 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 409205989 LHIXMUMBFPEVIQ-YJGSSNSBSA-N 410.452 4.586 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1C#N 33927746 KUTKNDHKOGIFTR-FYJGNVAPSA-N 415.493 4.502 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 107817383 JVMPKIRWSAFSAN-LPYMAVHISA-N 404.451 4.673 50 40 HJGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1 408765292 VEGMGRHJOFGHJS-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 408797605 SGQPIVJBTGDCDL-FOWTUZBSSA-N 406.825 4.932 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccn1 409232739 PEWLGOFWNINAHD-ATVHPVEESA-N 421.298 4.797 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 1056989 ABZYZOQAIBFUGI-FQEVSTJZSA-N 405.523 4.698 50 40 HJGB C#CCn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 408853528 PCWCUZHNKRFGTB-FMCGGJTJSA-N 420.266 4.547 50 40 HJGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12 409216225 IWVSNAIQVDGMQG-ZVBGSRNCSA-N 422.735 4.826 50 40 HJGB N#C/C(=C\c1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1 3273605 ZVLJIVGLMKHGQG-YHARCJFQSA-N 418.456 4.778 50 40 HJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2)cc1 6426804 LYDOGBOQNQADFV-MOSHPQCFSA-N 413.433 4.985 50 40 HJGB C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)C2CCCCC2)cc1 13964068 ROJRSRCOTICZAR-HHHBWYSZSA-N 403.526 4.849 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C3\C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)o2)cc1 17093021 XLFDVJOVZCCNTN-VCHYOVAHSA-N 422.444 4.742 50 40 HJGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 408746355 YOIYGUBSEWKXFT-STZFKDTASA-N 413.477 4.874 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)cc1 59433110 YGUJTCLUXOWARF-KPKJPENVSA-N 421.678 4.665 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)n2c1 59566572 UHXCAINGPGIUOS-BRJLIKDPSA-N 419.916 4.776 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCC#N 408792217 JQTIEDSQSXQKFQ-GZTJUZNOSA-N 409.873 4.749 50 40 HJGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408799981 MHONWRHHMTXNAG-BRFSQIRFSA-N 413.315 4.850 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1OC 408961675 DFMCFDONVIWHFL-AUEPDCJTSA-N 400.784 4.530 50 40 HJGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1 2353438 MEBRHIPJSSWGOT-SFHVURJKSA-N 411.914 4.568 50 40 HJGB CCOC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OC)c1 2375485 YEMSZFNGGIPLLU-FYJGNVAPSA-N 408.907 4.600 50 40 HJGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccccc1F 5491334 QQADEIRZXRTTQW-HNNXBMFYSA-N 401.228 4.741 50 40 HJGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2cccnc2)nc2ccccc12 12560585 LXUAVZRNWMOYRY-GYLHPZGVSA-N 423.432 4.634 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1 408691886 WGAKIPJGHPQDEN-UYRXBGFRSA-N 410.477 4.838 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 408718945 WZKQBGZFVPAYSD-XXHQULENSA-N 401.304 4.986 50 40 HJGB COc1cc(/C=N/NC(=O)CSc2ccccc2F)ccc1OCCC(C)C 6687121 IBQZWQAMJHNKNT-YDZHTSKRSA-N 404.507 4.502 50 40 HJGB Cc1cc(OCCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)ccc1Cl 8874975 BQBRIWSCORKXJP-WGOQTCKBSA-N 423.900 4.655 50 40 HJGB N#CC1=C2SC[C@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@H]1c1ccc(Cl)cc1 12275534 XLKBOIGHSWSIFZ-JXFKEZNVSA-N 417.317 4.637 50 40 HJGB O=C(/C=C/c1cnn(-c2ccccc2)c1)NNc1c(Cl)cc(Cl)cc1Cl 15423060 QTIWTGSZOLFMEM-VOTSOKGWSA-N 407.688 4.989 50 40 HJGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Cl)cc(Cl)c1O 58840198 HRURCSVYNZCMNG-FBCYGCLPSA-N 412.323 4.551 50 40 HJGB CCOC(=O)Cn1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21 408598862 KNKAOCCNDQIPIB-LFIBNONCSA-N 402.479 4.737 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1 408746280 RKGJDFYOEVCXGZ-VBKFSLOCSA-N 406.825 4.932 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(F)cc3)c2C)c1 408964274 CQWTUEDWRVKMBK-QFEZKATASA-N 422.460 4.566 50 40 HJGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 409116794 LSNHUDKOUBWUGF-IKMPRTQCSA-N 409.467 4.794 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 409378269 OGMUVKIJGKUBJD-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1 7385005 JKQHLXWDNDSYEV-OVVQPSECSA-N 413.521 4.938 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 59334472 FUIJWDQERGYOKT-UCQKPKSFSA-N 424.504 4.540 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC 59447284 ANRXUBLATMJIBS-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100600989 ZKTDVDDANYANNF-QINSGFPZSA-N 420.450 4.872 50 40 HJGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/C(Br)=C/c1ccccc1 682782 HDRFNPRIGZRYDC-QNVMDQTMSA-N 410.271 4.802 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(C)c1 3146224 DFPVAMKGKUBOJA-JFLMPSFJSA-N 411.505 4.836 50 40 HJGB CCc1ccc2oc(-c3cc(N4C[C@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1 45887628 IJLIRIKSNZKGQU-GFCCVEGCSA-N 403.265 4.829 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 96398810 YPCWQIPETGURPM-YZIPPPLESA-N 418.324 4.603 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cccc(F)c1 408734388 GAIDITLVPBHBRY-YBFXNURJSA-N 420.440 4.620 50 40 HJGB CCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408812704 PJOTWURQVYGURE-OVCLIPMQSA-N 405.281 4.624 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 408813137 PQYRVKDQZNUYKR-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)o1 409242614 WZUGAWGKGAGPGF-YZYPPFLQSA-N 400.434 4.738 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OC 409312953 AJIJPGYTPYMFNY-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 409374774 ZAACAUFCVBEIOH-RGEXLXHISA-N 408.461 4.953 50 40 HJGB CCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(OC)cc3)n2)cc1 948251 CYAVHOLLMOMFKJ-SFQUDFHCSA-N 405.479 4.763 50 40 HJGB CC1(C)Cc2cccc(OCC(=O)NNc3c(Cl)cc(Cl)cc3Cl)c2O1 2637063 FOGPFSCZXMMLSG-UHFFFAOYSA-N 415.704 4.882 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2C)cc1 4710494 VMQKQXVVRBYTRS-KGENOOAVSA-N 412.493 4.907 50 40 HJGB COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC 12140012 AVVCGMMKWPMLGW-GIDUJCDVSA-N 422.462 4.629 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(C#N)c2)cc1 20197802 IMGQCONHAVIFGC-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCC)cc2Cl)cc1 408787452 AHRNUBZYCQTBDA-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408790195 UYTRPHLDCRBWAE-WOJGMQOQSA-N 408.885 4.913 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1 408818467 VNGKMKHRMQJEGN-GZTJUZNOSA-N 412.873 4.850 50 40 HJGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccn1 409241349 ROIDIDMGXCOHIU-QRQIAZFYSA-N 424.504 4.685 50 40 HJGB O=[N+]([O-])c1ccc(OC[C@H](Br)[C@@H](Br)c2ccccc2)cc1 825925 JUIAONLVAAKGFE-GJZGRUSLSA-N 415.081 4.873 50 40 HJGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc2noc(-c3ccccc3)c2c1 2708479 LRDIZJHPHWMXSE-QGOAFFKASA-N 423.428 4.827 50 40 HJGB COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)c1 4844242 IJTWOYFMKXMJBC-SXGWCWSVSA-N 408.479 4.909 50 40 HJGB O=C(N/N=C/c1c(-c2ccccc2)nc2sccn12)C12CC3CC(CC(C3)C1)C2 5071915 XWSONDWOHITRBI-ZVHZXABRSA-N 404.539 4.729 50 40 HJGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(F)cc1 13798803 URPNOQOCOJSXSO-UKTHLTGXSA-N 410.788 4.983 50 40 HJGB COc1cc(C(=S)N2CCC(C)CC2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 408754576 WMQMEAVGAKULHT-XSFVSMFZSA-N 420.534 4.615 50 40 HJGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1Cl 408845027 DVRUDJVBHQWURX-CIAFOILYSA-N 402.679 4.657 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 939420 ZQMJXQINZVWISG-CXUHLZMHSA-N 409.898 4.942 50 40 HJGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccs1 1244760 VAVZQMFDIKQBLA-JLPGSUDCSA-N 420.563 4.779 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(OC)cc(OC)c1 106374945 PPMLTSWTODXFBO-PCLIKHOPSA-N 406.482 4.800 50 40 HJGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 408793952 GTIJFAPQFPOQTB-RIYZIHGNSA-N 419.264 4.724 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1C(=O)O 408847501 NEXDQZABJNPFBE-CVKSISIWSA-N 412.445 4.799 50 40 HJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 408909910 IWHSEURMRBPESP-BUVRLJJBSA-N 421.453 4.645 50 40 HJGB COc1cccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1OC 4502932 NOPCZHWKRHKGKF-AFUMVMLFSA-N 418.518 4.657 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCC 7385608 HMGUYBSKRDIQCF-BUVRLJJBSA-N 415.921 4.502 50 40 HJGB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C=C/c1ccco1 13584122 RCEHHTZGHVCIHN-SWHXDCQXSA-N 416.506 4.585 50 40 HJGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 100839910 SFMKOALXJINTEE-VBKFSLOCSA-N 420.450 4.872 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 408816877 ZHFIMXBXSNSBCM-QGOAFFKASA-N 417.396 4.859 50 40 HJGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2ccccc2)o1 408994872 HKZHAIBXJVVPEW-UDWIEESQSA-N 413.480 4.581 50 40 HJGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)cc1 713496 JBASBPMFAIKSDC-JOCHJYFZSA-N 417.484 4.775 50 40 HJGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 2060099 RCCXRUXJGYTREA-FOWTUZBSSA-N 420.450 4.872 50 40 HJGB CCOP(=S)(OCC)SCc1ccc(C(=O)Nc2cc(C)on2)cc1 2555960 YWBTWVPRTZFQMI-UHFFFAOYSA-N 400.462 4.766 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl 8748192 YPLQQFVDPGWADE-AWEZNQCLSA-N 401.274 4.786 50 40 HJGB CCOc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OCC 59473484 SQZYQDRTVDWNNG-WSDLNYQXSA-N 406.935 4.521 50 40 HJGB Cc1ccc2[nH]c(/C(C#N)=C3/C(=O)N(Cc4ccccc4F)c4ccccc43)nc2c1 59720729 QFUQWUSXJZNTMD-PTGBLXJZSA-N 408.436 4.992 50 40 HJGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408570364 UIKSKORHGYINPB-KMKOMSMNSA-N 406.200 4.536 50 40 HJGB N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl 409138773 HVJLIKGSEZVBBH-ZROIWOOFSA-N 420.271 4.515 50 40 HJGB COC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C(C)(C)C)cc1 4526013 QJCALLBDGUTLAP-OEAKJJBVSA-N 404.894 4.785 50 40 HJGB O=C(NNc1ccccc1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 16490252 PZLKFJNCQYJEOK-UHFFFAOYSA-N 404.853 4.794 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)c(C)c1 20195450 KVBOBLULNMDKIU-AFUMVMLFSA-N 418.497 4.620 50 40 HJGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O 20247986 UECJPHPCUSCHFW-IFRROFPPSA-N 403.718 4.736 50 40 HJGB C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)N/N=C/c1cc(Br)ccc1O)(C3)C2 217497103 WYNUMOOXXOWVFX-XVHPNKLYSA-N 405.336 4.601 50 40 HJGB COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2Br)o1 252484833 GJFGJALEXWJNPS-TWGQIWQCSA-N 411.049 4.552 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C 408541878 IICNDSMOTZIHME-ODLFYWEKSA-N 417.421 4.773 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408891307 OIOUVUBIPVFPTN-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C 409181055 ZRQQTRIQFMXSDQ-FSJBWODESA-N 411.845 4.818 50 40 HJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1 2345198 AHHBQPTZKAQKLM-FQEVSTJZSA-N 405.523 4.532 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1OC 1811964 PYGQQSJYHZHNIF-GXDHUFHOSA-N 407.451 4.533 50 40 HJGB COC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9014739 PCXNPDWNDGLJRJ-ROUUACIJSA-N 412.898 4.851 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(Br)c(C)c(Br)c1 9201153 DWRFFHNPIMGTQV-DJKKODMXSA-N 410.109 4.592 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 408544779 XHJHXEJKXSLRGL-YVLHZVERSA-N 417.377 4.553 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc(N)c1C#N 408723824 RUNDQFAMBSPCBN-LIMNOBDPSA-N 419.293 4.841 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)ccc1Cl 408725254 KFTSWPSFONXYJM-UXHHYDEKSA-N 414.889 4.663 50 40 HJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408818593 XJZWVMFYXFATAZ-VDLQHFIISA-N 419.481 4.776 50 40 HJGB CCOC(=O)N/N=C/c1ccc(OCCCOc2ccc(Cl)c(C)c2)c(OC)c1 4545197 UCQLFIAABPLNGR-OEAKJJBVSA-N 420.893 4.585 50 40 HJGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C(\c1ccccc1)c1ccccn1 4646802 ZYXFADMPVFTEGY-SLEBQGDGSA-N 407.901 4.771 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 9413890 JAHWFKMKJLGACK-OAQYLSRUSA-N 408.461 4.847 50 40 HJGB COc1ccc([C@@H]2[C@H]3C[C@@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 27241439 HIMCHXQWQSFCCM-NGYIFUPDSA-N 406.489 4.683 50 40 HJGB COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)o1 408598631 GOQANNGEJHQRNV-MFKUBSTISA-N 404.466 4.795 50 40 HJGB CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccccc1 408718652 PRZPHWOBASGMGM-XYGWBWBKSA-N 418.449 4.565 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)c1 408728070 ZNXRTXSVVCEYHA-YZSQISJMSA-N 410.477 4.620 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(F)cc1 408741295 IFSBJZCLDRMZPU-UYRXBGFRSA-N 402.425 4.959 50 40 HJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(Br)o3)ccc21 673682 RTAUYBWEYORSOG-WSDLNYQXSA-N 410.271 4.934 50 40 HJGB COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1 1805724 LPHDNNNEKIBMEO-SFQUDFHCSA-N 418.474 4.756 50 40 HJGB Cc1cccc2cc(/C=N/NC(=O)c3ccc(Br)cc3)c(Cl)nc12 2372960 KNDLSHHPUKYSIM-UFFVCSGVSA-N 402.679 4.723 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4697745 KFLVYUCNGBMMDP-MJGLRYBLSA-N 401.850 4.785 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 5569446 HBIRIIHSFUDQRC-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(CC)cc2)C(C#N)=C(N)O3)cc1 5883898 SXFCBEXJENBSJE-HXUWFJFHSA-N 400.482 4.646 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 26123813 VZQQSAUNAIBCSZ-WSDLNYQXSA-N 413.817 4.671 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccccc1F 59334885 QGPFTHMGKBOLMF-MOSHPQCFSA-N 408.473 4.527 50 40 HJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1Cl 108006710 XVKBESVFXDFWHG-MLPAPPSSSA-N 416.264 4.794 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 110157231 WKFZUPIEURLGNC-WYMPLXKRSA-N 422.282 4.856 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 408791980 GBTWHBIYOMNMCL-SFQUDFHCSA-N 409.283 4.569 50 40 HJGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCC 408963366 NOQXIEWYWQPGEQ-VULFUBBASA-N 420.431 4.995 50 40 HJGB Cc1ccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C 408966685 PVZYVWNWMLLLTE-YDZHTSKRSA-N 402.410 4.512 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3ccc(C)cc3nc2Cl)C(C#N)=C(N)O1 925149 DSZLHGLQQDIVCG-GOSISDBHSA-N 411.889 4.620 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)c1 4107017 USKXTXAUSNISOP-KGENOOAVSA-N 419.525 4.627 50 40 HJGB COc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1 4589992 OSUKPVJRKDRFCO-XIEYBQDHSA-N 419.481 4.699 50 40 HJGB CCOc1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 18127281 GNAQPJJIBSIKNX-VGOFMYFVSA-N 421.298 4.856 50 40 HJGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33322311 IHVRHQFFNHWPTK-RQZCQDPDSA-N 409.405 4.863 50 40 HJGB C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCC 408599562 WKIKZMNCSKWDFJ-MFKUBSTISA-N 406.869 4.668 50 40 HJGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C 408691683 LOVSLFLJDMIWRC-UYRXBGFRSA-N 410.477 4.838 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 408794925 KPBDXFPMMSVFAX-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408795196 LOLJJGLDPAMPCN-XNTDXEJSSA-N 415.276 4.950 50 40 HJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408908367 BXQOTJXSCRKVFO-WYMPLXKRSA-N 409.873 4.518 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1 409361232 BFHNWWMKRHGQFJ-PCLIKHOPSA-N 414.534 4.856 50 40 HJGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(Cl)cc1 1421549 PXDNBKVJBCYZOF-SSDVNMTOSA-N 417.690 4.785 50 40 HJGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 5890122 LRDYHOBHZKYQGW-MFKUBSTISA-N 413.304 4.770 50 40 HJGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1cccc2ccccc12 12362522 FWNIJHXSNFAMIL-ZVHZXABRSA-N 424.298 4.737 50 40 HJGB N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@@H]1c1ccc(F)cc1 16545260 GNWAFQYFQOGOAM-OAHLLOKOSA-N 401.319 4.748 50 40 HJGB Cc1cc(C)cc(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)c1 57476856 XFNGEAYFBCLYLN-DICXZTSXSA-N 411.505 4.836 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)o1 59335539 MMHVUDSVLWBILX-PTNGSMBKSA-N 403.394 4.718 50 40 HJGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OC 409370871 VBERZWKHZXXRTH-YEEYNWEUSA-N 417.937 4.705 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccccc3)o2)cc1Br 409385010 GGZBZIAGSNTENC-FSJBWODESA-N 412.287 4.580 50 40 HJGB O=C(N/N=C1/C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1)c1cccc(Cl)c1 5574312 VXXIHELXMMUOBS-RPJXVUCDSA-N 402.881 4.801 50 40 HJGB CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 33659377 YPBNKVREJKWICS-ZMOGYAJESA-N 412.873 4.673 50 40 HJGB O=C(c1cccs1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 96021453 HZCLDLYHKDRQII-RYUDHWBXSA-N 419.094 4.739 50 40 HJGB CCCCCCCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccccc2)o1 98001309 KNEMXJJJRMMFLG-PXLXIMEGSA-N 401.532 4.821 50 40 HJGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC 3225935 TTYSMSZEUMNVRL-XMHGGMMESA-N 422.481 4.596 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 4778780 USLJDASSZRUUSR-FRQJIFLKSA-N 424.932 4.877 50 40 HJGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 59473365 ZLYLDJGFYQGISW-MFKUBSTISA-N 420.534 4.901 50 40 HJGB CC1=C[C@@H](C)[C@H]([C@@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 102667930 JAPABBMFYHDZMU-PWGHIRGTSA-N 423.537 4.897 50 40 HJGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O 940838 MWKQKXJQYNKEKJ-SFQUDFHCSA-N 418.474 4.843 50 40 HJGB COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1 2227445 SRNZPASMDKKQSI-SFHVURJKSA-N 411.914 4.568 50 40 HJGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1cccc(Cl)c1 3170217 BMSXBCQHZVWOFP-STPJHCLOSA-N 408.885 4.837 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c1 9358754 WYMLUYIXIFUMOP-INIZCTEOSA-N 413.264 4.610 50 40 HJGB N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)cc1)C(=O)NCc1ccco1 9678932 NZYVWTQJMNGLTE-NBVRZTHBSA-N 422.868 4.614 50 40 HJGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 14134463 QQHUMKPDRQDCFA-ZVHZXABRSA-N 423.856 4.520 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(Oc2ccccc2)c1 24543995 AYXDDMMFEULHQN-NRFANRHFSA-N 408.413 4.803 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 59335390 IRFQJKJENPJZRX-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccccc1I 207154418 IMKIPMHICOTEAT-JYRVWZFOSA-N 422.653 4.799 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1[N+](=O)[O-] 408762632 PWNXPIBTRCYEKG-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408804663 GICSFTYOOWQLSR-XDJHFCHBSA-N 412.445 4.737 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408891194 MVIPWXYNEGDORT-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)o1 408960751 INDAEAFCYUYMJV-MYYYXRDXSA-N 413.433 4.508 50 40 HJGB N#CC1=C(SCc2ccccc2)N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc2c(c1)OCO2 1252676 ULRKMVSWNYQFTE-PKTZIBPZSA-N 416.502 4.991 50 40 HJGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)c(C)c1 2673091 IEZYVRWGLZDQMW-CYVLTUHYSA-N 414.509 4.680 50 40 HJGB O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)Nc1ccccc1Cl 28215618 NCEYPZDRIDTVFD-ZVHZXABRSA-N 422.872 4.513 50 40 HJGB C#CCn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21 408553698 PDZIPKTZURBJQO-FOWTUZBSSA-N 410.502 4.632 50 40 HJGB COc1ccc2ccc(OC)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2c1 409010024 AZOHCDZYTYJYHX-ZMFRSBBQSA-N 416.399 4.569 50 40 HJGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 409206571 POFPSVFIJXJIOD-YNYZQSIGSA-N 403.869 4.676 50 40 HJGB C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 20157783 ZESPYLZIXJMNCS-OVVQPSECSA-N 402.538 4.631 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc(C)c1 408793221 NYSKJLYKOFGTRV-DEDYPNTBSA-N 414.461 4.834 50 40 HJGB COCCNC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408819355 RNOAPVWCUGYAKA-XMHGGMMESA-N 420.896 4.742 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCC(=O)Nc1ccccc1 409043347 QCNCZNAQIXIVSF-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409213141 SSKAQQQPZAGPGK-UFFVCSGVSA-N 413.326 4.643 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccccc2)c1 1300463 CHOWCSOSEPIVHY-ZVHZXABRSA-N 417.490 4.649 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)c1 9203489 YPXREDADOPSCAT-ZVHZXABRSA-N 424.342 4.858 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1C(=O)O 13269142 QWCQWFZKZZNZSU-QGOAFFKASA-N 416.408 4.649 50 40 HJGB O=C(CSSCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 27490447 XIZPQZUXJNISMR-UHFFFAOYSA-N 401.340 4.952 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC3Nc4ccccc4N3)o2)cc1 32117157 AIQCVJVRFMSKKU-WYMLVPIESA-N 418.478 4.747 50 40 HJGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)c1 408850772 QWTOTIRLYPIRJR-GDNBJRDFSA-N 414.303 4.805 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccc(OC)cc2)c1C 408960800 OEEFGHFHNNMDEK-YSMPRRRNSA-N 419.525 4.503 50 40 HJGB COc1cccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c1 408969663 RSIGLGMUZDDAJR-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccs2)sc2c1CC[C@H](C)C2 5996466 LRSFUMMADJVWFY-IXJPEXDMSA-N 400.525 4.657 50 40 HJGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21 208252442 UMEPLXSJSDUBNY-GHONEHJGSA-N 414.893 4.734 50 40 HJGB COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409222037 BHVCLDCAYJNVEP-SDQBBNPISA-N 410.779 4.922 50 40 HJGB Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2 841925 DKOHVIIVSMATBJ-KRWDZBQOSA-N 415.255 4.845 50 40 HJGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 4675682 PSIQNJFZCQNXAT-WSDLNYQXSA-N 417.531 4.899 50 40 HJGB COc1cccc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)oc12 208200709 AAJPUTNRWIHPPS-PVLQNKMRSA-N 405.498 4.927 50 40 HJGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)c2C)cc1 408816954 VLNSXHZVQNBTCK-XSFVSMFZSA-N 415.493 4.965 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c(F)c1 408966679 MYIPUVXAYZBNHY-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Br 1106685 GTKGFGOFFBWDTO-HNNXBMFYSA-N 407.333 4.524 50 40 HJGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)cc1 3212206 KBLUUKYYNQOEJB-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB O=C(N/N=C/c1cccc(OCCCOc2ccccc2Cl)c1)c1ccccc1 13943641 FEXNVKBTURPAJD-KOEQRZSOSA-N 408.885 4.952 50 40 HJGB COc1cccc(/C=N/NC(=O)c2cccs2)c1OCc1ccc(Cl)cc1 409076424 AHFUVAAXDLRFHA-WSDLNYQXSA-N 400.887 4.753 50 40 HJGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccccc1Br 409130897 OCVPEHFBKXRJKU-BUVRLJJBSA-N 424.342 4.940 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O3)cc1 803801 GEFHWDUHAAYUCJ-GOSISDBHSA-N 410.449 4.507 50 40 HJGB Cc1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 1260227 LKPBGJHMUZYPLN-JVWAILMASA-N 411.505 4.836 50 40 HJGB C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)C(c1ccccc1)c1ccccc1 4904486 ROPUBKRUQOXYSW-GBZINIMXSA-N 413.521 4.578 50 40 HJGB COc1ccc2cc(/C(C)=N/NC(=O)CNc3cccc(C(F)(F)F)c3)ccc2c1 5494558 AQPKDRSEDUIQJX-MZJWZYIUSA-N 415.415 4.820 50 40 HJGB CSc1ccc([C@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1 6454190 IADXCGJRSFASNB-QGZVFWFLSA-N 411.508 4.589 50 40 HJGB COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1 6827748 CFHGBZLNZZVTAY-UHFFFAOYSA-N 404.480 4.754 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2c(c1)OCO2 12428590 KYVFAVXBINRRGR-AFPJDJCSSA-N 403.221 4.746 50 40 HJGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccccc1Cl)[C@@H](C)CC(C)(C)N2C 208213128 HVUNYRAZJJKDDJ-QQAHGDJHSA-N 413.949 4.900 50 40 HJGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cccc(Br)c1 409125772 AWPZVYRJGRZSPV-BUVRLJJBSA-N 424.342 4.940 50 40 HJGB Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccccc1C#N 409188725 FSCGILOQFWEEDX-STZFKDTASA-N 408.505 4.835 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 409262611 JCINGEQXSKHQQM-AFUMVMLFSA-N 423.444 4.984 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OCC 3082067 RJKLKPBYMQUVKI-YDZHTSKRSA-N 420.962 4.911 50 40 HJGB CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1ccc(C(C)(C)C)cc1 4545192 YYBKNEHTROFJHE-BUVRLJJBSA-N 402.922 4.955 50 40 HJGB CCN1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 55082693 SZQPKNJSCBWKNE-UHFFFAOYSA-N 406.917 4.757 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 408855814 FPMRPQOZWGOKIR-GXDHUFHOSA-N 403.251 4.923 50 40 HJGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1OC(C)C 409008934 ALHXZSKJJYMNIG-PTNGSMBKSA-N 415.287 4.791 50 40 HJGB CC(=O)Oc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409033360 LOZWWVVANZQYRD-WGOQTCKBSA-N 409.445 4.591 50 40 HJGB FC(F)(F)C(F)(F)[C@](F)([C@@H](Br)CBr)C(F)(F)F 1565657674 VLFYBSVEZRHACY-STHAYSLISA-N 405.880 4.613 50 40 HJGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 639285 PHKONQJRBXSCCO-OAQYLSRUSA-N 424.884 4.564 50 40 HJGB C/C(=C(/SS/C(C(=O)O)=C(\C)c1cccc(O)c1)C(=O)O)c1cccc(O)c1 1701078 LXMJGQKMKQGGBM-MJZABRMRSA-N 418.492 4.811 50 40 HJGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 17306470 SFMKOALXJINTEE-FOWTUZBSSA-N 420.450 4.872 50 40 HJGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccccc3)[nH]c2c1 50538939 ALGICPJHXUCKHH-RGEXLXHISA-N 408.461 4.953 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1cccc2ccccc12 59425679 RTNFKDKEIWTHEU-JFLMPSFJSA-N 411.461 4.586 50 40 HJGB N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1cccc(Br)c1 409107867 XHZHSHRWWGOBLL-GDNBJRDFSA-N 414.278 4.734 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 409392508 PUNKGODJMKCOOR-LSHDLFTRSA-N 405.237 4.732 50 40 HJGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 2849608 IAPDWTNFTSDZJR-AWNIVKPZSA-N 422.662 4.639 50 40 HJGB COC1(OC)[C@@H]2C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](Br)[C@H]2c1ccccc1 4991504 VHGYJUMOIKJSEC-WRZDFSGXSA-N 412.538 4.833 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 9057476 CEYDMHTZKNDRRH-SDNWHVSQSA-N 418.365 4.617 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(O)cc1 33740708 FTMVBAMJMIICCB-XFXZXTDPSA-N 409.785 4.759 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1 408853215 ZXAVXOSVDROWLZ-QFEZKATASA-N 414.465 4.563 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC 409064957 JPBWLRLGILVNTN-RCCKNPSSSA-N 400.478 4.680 50 40 HJGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H](Br)C(=O)[C@]4(C)CC[C@H]32)C1 627260130 SMJCXQBAPTXOIC-IFKFXWNZSA-N 409.364 4.823 50 40 HJGB CCN(CC)CCCN(C(=O)CCl)c1nc(-c2ccc(Cl)cc2)cs1 4214937 NBZMFNNSIDQSBX-UHFFFAOYSA-N 400.375 4.767 50 40 HJGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc2ccccc2[nH]1 9096907 OVWSBQYLROLYEM-BJMVGYQFSA-N 419.076 4.858 50 40 HJGB C[C@H]1CCC/C(=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)C1 34706245 NDOZCGUIQNYMAX-YDSCJXCKSA-N 419.554 4.709 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1 58823156 IMTYQTRISGPCEN-XMHGGMMESA-N 402.425 4.959 50 40 HJGB O=C(N/N=C\c1cccc(Br)c1)c1cc2cc(Br)ccc2o1 83252621 GSZLBPYKLPCAAA-OCKHKDLRSA-N 422.076 4.722 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(F)cc1 209280241 USJKSCIMVTWAAG-UYRXBGFRSA-N 408.473 4.769 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccccc1Br 408591235 SFLGAEHBOQVXRZ-RGVLZGJSSA-N 402.317 4.682 50 40 HJGB N#CCC[C@@H]1CCCC/C1=N\NC(=O)CSCc1ccccc1Br 59953592 JVXHFIOGLNNLEA-HGNXGAGXSA-N 408.365 4.648 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](Br)C2=O 102872446 VBZCTPJZVASQHJ-JCURWCKSSA-N 418.253 4.803 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1OCC 408815419 JIHNHTFPGXXTQH-GZTJUZNOSA-N 424.884 4.613 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)o1 408899246 ONDYVEVZWIUAKO-ZVHZXABRSA-N 415.405 4.781 50 40 HJGB O=C(N/N=C/c1ccco1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 2201077 QGYSLAVPSFNNOQ-WSDLNYQXSA-N 408.255 4.954 50 40 HJGB O=C(NN=C(c1ccccc1)c1ccccc1)/C(O)=C\C(=O)c1ccc(Cl)cc1 102401874 IQRPNTNRHQXBRJ-RCCKNPSSSA-N 404.853 4.533 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408851029 URWYGZAIRLBXDE-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB CCOc1cc(C(=O)N/N=C(\C)c2ccc(Cl)s2)cc(OCC)c1OCC 6487414 LLTQBHSQEZJMGY-CIAFOILYSA-N 410.923 4.752 50 40 HJGB Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1 408708808 TUKGZACNPUTMGB-DHRITJCHSA-N 424.863 4.620 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OC(C)C 408809973 HYFVZETXNLUOER-OQLLNIDSSA-N 400.862 4.777 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Br)cc1 409192245 BWNNOZVZCBBFHL-SFQUDFHCSA-N 412.331 4.822 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 409227920 XJQAQLHDNMEQJF-CFRMEGHHSA-N 413.260 4.977 50 40 HJGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)c2ccoc2)cc1OCC 585080792 UOCPJBQERZPLBJ-OVCLIPMQSA-N 402.244 4.795 50 40 HJGB O=C(NNC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2sccc2c1 1641154189 VYOOHSNGGCLGCW-UHFFFAOYSA-N 404.875 4.983 50 40 HJGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3cccs3)CC(=O)N2C1 4412425 NAFVKJZBZSIOGB-CYBMUJFWSA-N 401.944 4.929 50 40 HJGB CC(=O)C1=C(C)NC(SCc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 8809512 HEQJFALSGOXFKR-OAQYLSRUSA-N 423.469 4.952 50 40 HJGB Cc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)c1C 58927870 OTRWNEQZZOADAL-UFFVCSGVSA-N 405.361 4.758 50 40 HJGB CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OCC 59473110 HVZBBXZKSSOSER-KOUDTOEKSA-N 406.935 4.768 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)c2ccccc2)cc1 83319063 VAYUIUXJMIXCNW-HMMYKYKNSA-N 403.459 4.553 50 40 HJGB CN(C)c1oc(-c2cccc(Cl)c2)nc1P(=O)(c1ccccc1)c1ccccc1 102618489 USJWOHXXEGLZTO-UHFFFAOYSA-N 422.852 4.700 50 40 HJGB O=C(N/N=C/c1cc(Cl)c(O)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2s1 108271940 SMRMHZFUCUFBJW-FBCYGCLPSA-N 410.238 4.586 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408744945 IMEPJVRCDUOMPI-ZROIWOOFSA-N 401.249 4.560 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)c1 408756311 PVXSDYWWXRXQQL-VIAWTIDPSA-N 420.520 4.610 50 40 HJGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)o1)C(=O)NCc1ccco1 408993259 VIPVNDHZPMFUTB-FOWTUZBSSA-N 401.447 4.795 50 40 HJGB N#CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 409049198 YEJLRQZDCOQHDJ-WPWMEQJKSA-N 406.445 4.568 50 40 HJGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(Cl)cc1OC 409200718 ISLJGQKWEVMAJV-UFFVCSGVSA-N 413.326 4.643 50 40 HJGB CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 670619 CZBIUXMMPCKXLX-WGOQTCKBSA-N 412.493 4.927 50 40 HJGB Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)c2c1 871078 VCVRKJDGIJZPRY-DHRITJCHSA-N 415.518 4.953 50 40 HJGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccccc1Br 1429110 QUNGQPBUTSQRGV-UFWORHAWSA-N 402.075 4.528 50 40 HJGB CCC[C@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1 20132562 MLWYEVMCOBJQGB-QMMMGPOBSA-N 406.143 4.869 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC 40139999 CYLPIIIQOJEELV-XGICHPGQSA-N 411.801 4.537 50 40 HJGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 104630056 ZHHXUQSENKRQJS-JWGURIENSA-N 421.456 4.537 50 40 HJGB C/C(=N\NC(=O)CSCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 408719824 MMRHMNPDTRNTNU-NLRVBDNBSA-N 417.534 4.713 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408754939 STCZVDLBPPXZKJ-SSDVNMTOSA-N 413.817 4.589 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F 408780018 QAOZDOROLGPQTQ-SXGWCWSVSA-N 417.278 4.599 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1 408819333 RGUPFCSEPILDDJ-RAXLEYEMSA-N 407.357 4.548 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(C(C)(C)C)cc1 662368 RPTVLGQMLWRKSY-FQEVSTJZSA-N 402.494 4.766 50 40 HJGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C3SCCS3)cc2)cc1 6931083 ZPYOBOVDYHOECG-UHFFFAOYSA-N 400.569 4.538 50 40 HJGB C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)c1ccc(Cl)cc1 9805490 UTJRHCHPILPEHW-WSDLNYQXSA-N 422.710 4.545 50 40 HJGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)c1cccc2ccccc12 16137118 PUMYJTAWSLVMSS-ZVHZXABRSA-N 424.298 4.737 50 40 HJGB COc1ccc(-n2ccc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)n2)cc1 55219887 MYCJRAUFZXFNDP-UHFFFAOYSA-N 411.676 4.598 50 40 HJGB O=[N+]([O-])c1ccc(S[C@H](CCl)CSc2nc(O)c3ccccc3n2)cc1 57505484 JMZMNQZHOQKIBS-CYBMUJFWSA-N 407.904 4.735 50 40 HJGB O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1cccc2ccccc12 59679092 ZWZWWJNUDIPDRW-LPYMAVHISA-N 412.287 4.559 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1cccc(F)c1 408885647 DIKLHBQTIGAPPP-LDADJPATSA-N 416.408 4.599 50 40 HJGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1 408991298 NHTZFIJVBVKMBG-YUMHPJSZSA-N 424.504 4.970 50 40 HJGB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43CI)[C@H]1CCC2=O 627260140 WHAGMEOCNIRULZ-LLLOQXOTSA-N 412.311 4.503 50 40 HJGB O=C(N/N=C1/C=C(c2ccccc2)[C@](O)(c2ccccc2)C1)c1cccc(Cl)c1 1056849 VXXIHELXMMUOBS-AQFUSMFPSA-N 402.881 4.801 50 40 HJGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2C)cc1 1084917 XYYSCSOAZDRIOV-JVWAILMASA-N 424.504 4.685 50 40 HJGB CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(C)cc1 1797355 GNJGABYDBWDLHY-ZVHZXABRSA-N 421.570 4.639 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCc1ccccc1 4544486 HJXDPQUBRKKHJR-JWGURIENSA-N 400.453 4.671 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 4749776 QLBANGKMOYJIGP-XDHOZWIPSA-N 403.507 4.987 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC(F)F 40139918 BLHYTRVDKMLPHI-LFYBBSHMSA-N 416.355 4.715 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c1C 408848624 RYCTZOYSVRRXFW-WDZFZDKYSA-N 424.092 4.967 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccccc2OC)c1C 408962560 ZCMDXOYRBZVUPH-YSMPRRRNSA-N 419.525 4.503 50 40 HJGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1F 664350 BBNQNZJLCDBRRT-IBGZPJMESA-N 416.294 4.653 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1sc2c(c1C#N)CCCC2 1101298 NJKORHODOAIBKE-FSJBWODESA-N 408.552 4.732 50 40 HJGB C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1cc2cccc(C)c2nc1C 4411044 ZFQKFMNQYRYXOU-MZJWZYIUSA-N 422.916 4.948 50 40 HJGB COC(=O)N/N=C/c1ccc(OCCCOc2cc(C)ccc2C(C)C)c(OC)c1 4545195 HZKKAIFWVVZKRS-BUVRLJJBSA-N 414.502 4.665 50 40 HJGB O=C(N/N=C/[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1ccccc1Br 4844442 NNIQYZNRBINYPE-INHGOHIBSA-N 412.114 4.752 50 40 HJGB O=C(NNC(=O)c1cccs1)c1cccc(CSc2ccc(Cl)cc2)c1 6508014 SZBFXDBUCCZDDV-UHFFFAOYSA-N 402.928 4.769 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c([N+](=O)[O-])c1 8837496 LDQWELYSTGQHGI-JLHYYAGUSA-N 423.410 4.612 50 40 HJGB CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1 20132552 KUXNZHSGIPUQNI-MRVPVSSYSA-N 406.143 4.869 50 40 HJGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1ccc(Br)o1 245241687 MTPXYLUJLHOUGK-AWEZNQCLSA-N 413.271 4.627 50 40 HJGB N#C/C(=C/c1ccc(I)o1)c1ccc(Br)cc1 408760498 ZSAVPWQVCZBAMO-YFHOEESVSA-N 400.013 4.711 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccco1 408996365 HTYKFDLBXJNLQJ-SSDVNMTOSA-N 402.237 4.603 50 40 HJGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2)cc1 1439435 PVQCDWKXJSXCGR-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB CCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)c1 2090020 BZWSQPYXZMPJQF-WPWMEQJKSA-N 410.477 4.850 50 40 HJGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C 6286334 VHLOTWSLQVUVRC-WGOQTCKBSA-N 411.509 4.661 50 40 HJGB N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 16736604 DHDZHEXKWHMVLN-YRNVUSSQSA-N 420.321 4.578 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)cc1 59249640 ADLFRYDJVATXCC-PTNGSMBKSA-N 414.303 4.750 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)cc1 59335817 SHGNOTSGDVEGMJ-POHAHGRESA-N 410.065 4.659 50 40 HJGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(CSCc2ccccc2)cc1 59473565 ZLYZSBJRUIWXLS-OEAKJJBVSA-N 405.479 4.792 50 40 HJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1 100314001 AXBBJYVKJQTADE-MYYYXRDXSA-N 400.434 4.784 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C 408923842 KOOMVJONPLRZNG-XDHOZWIPSA-N 400.438 4.856 50 40 HJGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F 409368756 KWGJWHLANXPGLQ-OAQYLSRUSA-N 423.488 4.981 50 40 HJGB CC1(C)O[C@H]2C(B3OC(C)(C)C(C)(C)O3)=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 616568824 FDCFBQHLRBVOMG-OIISXLGYSA-N 410.436 4.716 50 40 HJGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 6279649 YGHAKLIJALQDPP-RVDMUPIBSA-N 415.287 4.792 50 40 HJGB O=C(COc1ccc(Br)c2ccccc12)N/N=C\C=C\c1ccccc1 12362565 BQVIPXXUNOHHET-ROPAZMDISA-N 409.283 4.797 50 40 HJGB COc1cccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1 96024155 VEMBNCIFLNBRCI-QINSGFPZSA-N 401.447 4.902 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OCC 409325305 XVFKWIJAJFSKGM-ONUIUJJFSA-N 418.493 4.827 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)[C@@H](O)c1ccccc1 409357351 QAGWOOWOYZNZCT-XHEHIBSSSA-N 417.896 4.527 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1052603 IQMDDIQCHQRKQH-FSJBWODESA-N 412.287 4.580 50 40 HJGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3097457 UOHZWDWYMLNWOF-BUVRLJJBSA-N 423.310 4.721 50 40 HJGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(COc2ccc3ccccc3c2)cc1 3287966 KFBNXYPIDPQZQX-JVWAILMASA-N 424.456 4.881 50 40 HJGB CC(C)Oc1ccccc1/C=N/NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 3341023 YCTKRXPPIJNCCI-JVWAILMASA-N 413.477 4.542 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 7164410 CWKUBHOZGIRZBC-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB C/C(=N/NC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccccc1O 13562424 BVFXYKYREUUPSK-QRQIAZFYSA-N 408.461 4.670 50 40 HJGB Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 58886658 WWPMBZDFSTZYNO-IBUSPFOHSA-N 409.917 4.711 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1 59399101 YCIGLXKPRPELIN-HMMYKYKNSA-N 403.459 4.553 50 40 HJGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1sc2ccccc2c1Cl 12788185 YBCUMDPRPAXUEA-UHFFFAOYSA-N 411.335 4.761 50 40 HJGB N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@H]1c1ccc(F)cc1 16545262 GNWAFQYFQOGOAM-HNNXBMFYSA-N 401.319 4.748 50 40 HJGB Cc1cc2sc(NC(=O)[C@H](Br)C(C)C)nc2cc1Br 20133324 KJZFFTPXKAVNGK-LLVKDONJSA-N 406.143 4.725 50 40 HJGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(Br)c1 20247906 QHTFXFHXCHVNHX-UDWIEESQSA-N 411.752 4.876 50 40 HJGB COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 33828204 HSMXOYRLXHSOOE-NVNXTCNLSA-N 415.287 4.629 50 40 HJGB N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)C(=O)c1c[nH]c2cc(F)ccc12 44027029 QGMQBFKCLCGLCF-WUXMJOGZSA-N 401.319 4.598 50 40 HJGB C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 100090317 ILGSEJIEHMWWOO-JVWAILMASA-N 403.526 4.877 50 40 HJGB Cc1ccc(OC/C(=N\NC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 408734537 YLULHYACNDBORF-DARPEHSRSA-N 423.310 4.971 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408790306 VMVFDXFDZBOVRZ-GXDHUFHOSA-N 415.674 4.660 50 40 HJGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 408811140 KJZGABQUNZEZLS-UCQKPKSFSA-N 413.521 4.943 50 40 HJGB O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)c1cccc(C(F)(F)F)c1 1399200 LLDNFTYJRZFDII-UHFFFAOYSA-N 415.396 4.543 50 40 HJGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(COc2ccc3ccccc3c2)cc1 3446199 RMWOZHRHKKERBZ-CVKSISIWSA-N 412.445 4.594 50 40 HJGB Cn1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c2ccccc21 9635877 LYFRMGOPTXVXGN-ZMOGYAJESA-N 420.310 4.787 50 40 HJGB N#C/C(=C\c1ccc(COc2cccc(Cl)c2)o1)C(=O)Nc1ccc2c(c1)OCO2 17093288 PKNUMUWTSOJXOH-RIYZIHGNSA-N 422.824 4.786 50 40 HJGB Cc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1 20060323 JJTIZKSFUNTTRF-UHFFFAOYSA-N 421.607 4.538 50 40 HJGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cccc1[N+](=O)[O-] 28217466 FKANGYGRGMBJCX-FSJBWODESA-N 410.861 4.728 50 40 HJGB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](Br)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 118914922 HYXUDBBVUZEPTI-KVMLNQNXSA-N 411.380 4.903 50 40 HJGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OC 408579247 FIFZBQLZMURRFN-OVCLIPMQSA-N 418.287 4.938 50 40 HJGB Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 408854237 AOIGRCYFHZFODU-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1 20132618 OZBTYLRPKMPYPA-SSDOTTSWSA-N 410.106 4.700 50 40 HJGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OC 33660477 KBRZRSPMRJKWNT-AUWJEWJLSA-N 403.232 4.829 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408787885 HHRUQLNNDOSQRM-SFQUDFHCSA-N 424.884 4.695 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccn1-c1cccc(C(=O)O)c1 4674967 COSCQQJXVLJZKS-LFIBNONCSA-N 405.841 4.683 50 40 HJGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4714631 WXQWXLDAXSHLKO-ZMOGYAJESA-N 420.340 4.508 50 40 HJGB Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(Cc3ccccc3Cl)ccc2O)c1 30895864 OEIRPZIFVFNGES-WGARJPEWSA-N 422.912 4.782 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OC 59116824 IJFASKBUFYUNKF-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1 59534542 MWRBOORUKLDCMB-CPNJWEJPSA-N 405.523 4.778 50 40 HJGB COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1 408710944 ZHWYGLMZSWPYHZ-LPYMAVHISA-N 403.320 4.909 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408848197 QOZLYWBZEKOSBQ-BOPFTXTBSA-N 419.868 4.991 50 40 HJGB Cc1cc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc2c1 898831 MVXOUIXMXKLQCP-SFHVURJKSA-N 407.901 4.956 50 40 HJGB NC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1 4512525 OZAODEIYQWWONK-MFKUBSTISA-N 415.921 4.848 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 4722732 CJUNTBVZWYPJFF-KGENOOAVSA-N 412.445 4.818 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1CN1CCCc2ccccc21 5798961 ZCEXIOGJMMKQCX-WPWMEQJKSA-N 413.521 4.720 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9057505 LXAYTZMEXQJCNE-QGOAFFKASA-N 417.396 4.859 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1O 32791054 KLVGCEPPHCPWRX-LFYBBSHMSA-N 421.678 4.671 50 40 HJGB Cc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 59472634 LTGZKIHLRSXRAO-FVDSYPCUSA-N 419.484 4.829 50 40 HJGB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(SC#N)cc1[N+](=O)[O-] 100958929 VULFWZQUNQVRTC-YBEGLDIGSA-N 407.455 4.503 50 40 HJGB CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408535043 XIVMCRHSVGQGEM-RVDMUPIBSA-N 415.287 4.879 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)c1 408880337 IKFRJONVSJOWPD-KSEXSDGBSA-N 417.248 4.804 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(F)cc1 408961781 FABMOTWLPCHERV-WYMPLXKRSA-N 420.400 4.652 50 40 HJGB O=C(C[C@@H]1Sc2ccccc2NC1=O)NNc1c(Cl)cc(Cl)cc1Cl 1661469 BHECGSZRRKHGAD-ZDUSSCGKSA-N 416.717 4.593 50 40 HJGB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Br)CS1 36625077 RUKCUTKHFJNCQW-GXTWGEPZSA-N 407.358 4.533 50 40 HJGB Cc1cc(C)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)c1 408566775 BEKMDIXRQQBUPI-WSDLNYQXSA-N 400.569 4.620 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1ccc(Br)cc1 408737834 HTLBKXWJJWXYOS-FSJBWODESA-N 414.278 4.760 50 40 HJGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 408761447 FKPOZUVQYWVQRM-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1O 408813126 FGBCLDWYYFSJND-LFYBBSHMSA-N 421.678 4.671 50 40 HJGB CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)COc2ccccc2)c1O)CCCC3 3171232 TUTGYOQNPDSGHU-VULFUBBASA-N 420.509 4.844 50 40 HJGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1 6162456 SAPWEDZGBVXJLM-GOSISDBHSA-N 406.511 4.762 50 40 HJGB COc1ccc([C@H]2[C@@H]3C[C@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 19851633 HIMCHXQWQSFCCM-CKUXNOBLSA-N 406.489 4.683 50 40 HJGB Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408545541 ZQVQRVQZSMKVDW-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)sc2c1Cl 408971724 KJICVPZSBZSNOU-ZBKNUEDVSA-N 424.265 4.889 50 40 HJGB CCCCCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 2734131 GGGQBXJZYQCFSK-PCLIKHOPSA-N 424.932 4.918 50 40 HJGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C)cc1 4196578 YQHKFOLMLGKYGH-KOEQRZSOSA-N 419.481 4.617 50 40 HJGB COc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c([N+](=O)[O-])c1 9008806 UBHRJGVUUQNNDX-JLHYYAGUSA-N 423.410 4.612 50 40 HJGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@@H](Br)C2=O 12276971 NEVYBORRHNCPOB-DQLDELGASA-N 400.316 4.937 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccs1 59417862 WWCJQOLIHLYJEV-CIAFOILYSA-N 415.312 4.854 50 40 HJGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)c1C 408853980 UYHZOOSESIAZOE-IDUWFGFVSA-N 415.085 4.577 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)cc1 409363895 OLLWUIWZRWLMRZ-AFUMVMLFSA-N 424.884 4.642 50 40 HJGB Cc1n[nH]c2c1[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)C(C#N)=C(N)O2 679137 MUNNILOEJKYPPB-QHCPKHFHSA-N 408.461 4.669 50 40 HJGB CCn1c2ccccc2c2cc(/C=N/NC(=O)Cn3c(C)nc4ccccc43)ccc21 3183478 RGZGRFKXOBJFRA-CVKSISIWSA-N 409.493 4.623 50 40 HJGB O=C(N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl)c1ccccc1Br 4844440 NNIQYZNRBINYPE-IZCCTAMJSA-N 412.114 4.752 50 40 HJGB CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4923277 XCLKDGCOEORFFU-LJQANCHMSA-N 407.564 4.936 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCN(c2ccccc2)CC1 5590908 JEBNMRPKWDNTSZ-KNTRCKAVSA-N 417.896 4.856 50 40 HJGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 8571332 LRCSXWRFPYRYJR-XSFVSMFZSA-N 413.433 4.985 50 40 HJGB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(F)cc2)c1 8812312 BRULVXGEYCOHFI-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)c(OC(C)C)c1 20760278 PPCBCPMQYNILIU-WSDLNYQXSA-N 419.319 4.787 50 40 HJGB COc1ccccc1C(=O)N/N=C/c1cc(C)c(OCc2ccc(F)cc2)c(C)c1 408854588 IZQYKSOXRNMZQB-VULFUBBASA-N 406.457 4.794 50 40 HJGB O=C(CNc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409385284 HIUYGZCQHBDTSN-MZJWZYIUSA-N 416.912 4.905 50 40 HJGB Cc1cccc(-c2cccc(C(=O)NNC(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)c2)c1 1632098281 JWDACEQZVBKWRO-UHFFFAOYSA-N 424.504 4.744 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12 5921853 LGQHKJUABOQGKT-QHCPKHFHSA-N 408.461 4.561 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1c(F)cccc1Cl 7164128 SEVPYLHVEICPFF-XNTDXEJSSA-N 414.864 4.642 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 26123808 MNTOYVMNQZCXGQ-LPYMAVHISA-N 413.271 4.872 50 40 HJGB CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)c2c(c3ccccc3oc2=O)O1 101313716 HQUFNJWLRQSESP-SAMQYFKISA-N 406.825 4.771 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl 408692031 BTHUDXMCYFJKES-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 409343146 CXYCYIKJOQKYND-OEAKJJBVSA-N 402.336 4.699 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4922805 QDPHWGDBHYXJSU-FQEVSTJZSA-N 405.523 4.613 50 40 HJGB O=C(CNc1ccc2ccccc2c1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 33295593 DSTXOODTVCBVMS-QFEZKATASA-N 414.421 4.570 50 40 HJGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)cc3)o2)cc1 33305479 XIWWNGRHZHSYOE-UUYOSTAYSA-N 409.243 4.736 50 40 HJGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 59473047 UJBZYPBRRITTIF-CYGNYLSHSA-N 404.919 4.544 50 40 HJGB COc1ccc([C@@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc1OC 100911500 PJCMZTXKUWVORF-HGQHNSGJSA-N 413.477 4.706 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408884400 UIABELQTHRTOHU-AWNIVKPZSA-N 405.679 4.965 50 40 HJGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)sc2c1Cl 408970144 BNYFNEYZJWNAGQ-ZBKNUEDVSA-N 424.265 4.889 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1C 409185446 ZASGWORQSPRELJ-ZMOGYAJESA-N 404.470 4.692 50 40 HJGB O=C(c1cc(OC(F)(F)F)ccc1Cl)[C@@H](Br)CBr 575361623 ZFXKNGZXWMAWJI-ZETCQYMHSA-N 410.411 4.580 50 40 HJGB CCc1scc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1[N+](=O)[O-] 1085540 KTLLBCPNWJDRMB-WSDLNYQXSA-N 409.467 4.562 50 40 HJGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(C)C)cc2)N1C(=O)CCl 11692280 PKCCQPVWHBSAOH-REWPJTCUSA-N 424.928 4.546 50 40 HJGB O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1cccc(Cl)c1 40846324 SKVWAFLBBYTFQW-QQTULTPQSA-N 424.287 4.674 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)cc1 59248647 OQMQBBYNNCPGLV-SQFISAMPSA-N 422.282 4.794 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 408744223 JRWRHGNRXUIDBD-LGMDPLHJSA-N 416.433 4.898 50 40 HJGB Cc1cccc(-n2cccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408963206 AUSLNCLFHZTIIM-YDZHTSKRSA-N 402.410 4.512 50 40 HJGB O=C(N/N=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccco1 409062870 CEFFAETUQBCLLF-VROXFSQNSA-N 410.792 4.572 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3cc(C)ccc3C)o2)ccc1Cl 409360285 DMUFTRNBRLAJJZ-DHRITJCHSA-N 424.884 4.696 50 40 HJGB N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1ccc(I)cc1 409368856 PSQYYTHPPNZIFW-LFYBBSHMSA-N 409.610 4.737 50 40 HJGB COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c1 985830 CNTWDYCEKDVKAJ-FQEVSTJZSA-N 400.482 4.502 50 40 HJGB CC(=O)Nc1ccc(/C=C(/C#N)c2nc(O)c3c4c(sc3n2)C[C@H](C)CC4)cc1 33871072 AEAUKKMVFUUYNE-DYTQJMLRSA-N 404.495 4.544 50 40 HJGB CCN(CC)C1=NC(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N1 100930150 OOINGHXVOFMSRS-UHFFFAOYSA-N 400.466 4.912 50 40 HJGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1C(=O)O 408994101 FRQVFCSKZVQPAQ-YSMPRRRNSA-N 411.461 4.709 50 40 HJGB CCOC(=O)N[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1 409003330 RWMCONXHGLNMPT-QFIPXVFZSA-N 403.482 4.733 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1Cl 15147357 RIXKXKJMXBHCJR-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408798191 VDTANTKKLPDZRI-LDADJPATSA-N 417.396 4.859 50 40 HJGB CO[C@@H](C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 408862228 DOZWMBUIHNJJDX-BHSKHCGUSA-N 408.885 4.757 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)c1C 409228277 WQQCXWSLBKTHGC-SQFNAUOLSA-N 414.461 4.826 50 40 HJGB Cc1cc(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nc2ccccc12 871006 WIGIOKTZLDJAOL-ZMOGYAJESA-N 401.491 4.644 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 4705354 SWPJIHDZLLHPFW-GHRIWEEISA-N 402.406 4.589 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OC)c1 98056631 QRTCVDBLILZLQD-YRNVUSSQSA-N 421.678 4.665 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408527975 GYEQUZGVUKPVKP-VULFUBBASA-N 417.896 4.872 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1F 408865319 AHWMFYAONRVROB-FOKLQQMPSA-N 414.824 4.559 50 40 HJGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 409001660 QBGMBAZVQRGIDC-AFUMVMLFSA-N 412.449 4.670 50 40 HJGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(Cl)c1 5775443 YGKVMCQLRBXBGD-MFKUBSTISA-N 400.869 4.957 50 40 HJGB Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2 5787702 VEQPPNBBXVQRDT-UHFFFAOYSA-N 418.965 4.561 50 40 HJGB C/C(CCc1ccccc1)=N\NC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl 13882088 DJQUGBPWUFJUPO-ZVHZXABRSA-N 406.313 4.837 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 33739470 PKTBSBOJFMDPIF-QRVIBDJDSA-N 409.829 4.591 50 40 HJGB COc1ccc(C2=C/C(=C(\C#N)C(=O)Nc3nccs3)c3cc(C)ccc3O2)cc1 35681493 YJMBGCSGBGKCGN-ZPHPHTNESA-N 415.474 4.810 50 40 HJGB O=C(NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)c1ccccc1 49986039 FEBUMADSHHYLRY-UHFFFAOYSA-N 422.554 4.599 50 40 HJGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2 59410831 JMLJOWDOMBCGSM-JFLMPSFJSA-N 424.456 4.911 50 40 HJGB CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)c1C 408806946 BQBIBSBRNWYHQD-HAHDFKILSA-N 413.521 4.889 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1 408810750 PYRNKVFPJJNNGY-SFQUDFHCSA-N 409.283 4.569 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1O 408818727 YSONGFFILHZYTB-ZROIWOOFSA-N 401.235 4.568 50 40 HJGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408893057 FDCSEBQXXBUSGI-MDWZMJQESA-N 405.679 4.965 50 40 HJGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(Br)o3)[nH]c2c1 409392876 SSFDWWOTFQNBMB-YWEYNIOJSA-N 423.064 4.754 50 40 HJGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 7351853 PJXCULZHCUZIEQ-XNTDXEJSSA-N 400.862 4.692 50 40 HJGB Cc1cc(C)c2oc(-c3cc(N4C[C@H](C(=O)Cl)CC4=O)ccc3Cl)nc2c1 45887547 RIFFUWPLXBQRIZ-GFCCVEGCSA-N 403.265 4.883 50 40 HJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(F)cc1 83317998 LLHIAVMJOHSOOL-WGARJPEWSA-N 418.424 4.923 50 40 HJGB COc1ccc(CCN(C(=O)CCl)c2nc(-c3ccccc3)cs2)cc1OC 882173 IEWYKWMZUSHPOW-UHFFFAOYSA-N 416.930 4.642 50 40 HJGB C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl 3174964 XIZJZXDQHCOGIR-YPZZKDGISA-N 416.102 4.674 50 40 HJGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1 8402601 QRIGMIDAYWJCJY-WSDLNYQXSA-N 423.519 4.878 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc(Cl)c1 13586185 AQSWRQJLKZASBI-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C\c1ccc(Br)o1 16322368 MTPXYLUJLHOUGK-CRRPLPBISA-N 413.271 4.627 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccs1 408873290 SHLRPGBXFQGQNX-CIAFOILYSA-N 415.312 4.854 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408983465 MGQWLJKWZUXBMO-NVNXTCNLSA-N 415.276 4.868 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(F)cc1 409204399 GSEATNNEGLBPIW-ZVHZXABRSA-N 412.486 4.558 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2)cc1 1243229 PLQNKJARVFZMDI-ZVHZXABRSA-N 417.490 4.649 50 40 HJGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl 20348347 LJKDEHWKMOZLAY-OAHLLOKOSA-N 413.905 4.694 50 40 HJGB Cn1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc(Cl)c1C=O 101216529 ZDZBOSCYAQSSNM-UHFFFAOYSA-N 419.852 4.695 50 40 HJGB N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408542769 LAMJPNBFGYHWNL-RGEXLXHISA-N 411.461 4.684 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 408795012 UJWZVAGWKJUXLU-GXDHUFHOSA-N 418.365 4.617 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(O)c1 409391797 LJJMMAROMXMYEK-LSHDLFTRSA-N 405.237 4.732 50 40 HJGB O=C1c2ccccc2C(=O)c2c1ccc(C(Br)Br)c2Cl 4783239 ROOIMHSTHJEPGE-UHFFFAOYSA-N 414.480 4.904 50 40 HJGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1cccc2ccccc12 20029484 YWBYDNKDUSJGHK-FQEVSTJZSA-N 401.491 4.648 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 408692208 HDCPYQZSMZYGAU-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(-c2ccc(Br)cc2)o1 408718940 WZKQBGZFVPAYSD-FSRGMODTSA-N 401.304 4.986 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1F 408810506 KVIRHEIWPHMMIJ-UYRXBGFRSA-N 416.408 4.649 50 40 HJGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4ccccc4Cl)c3C)c(C)nc2c1 408874277 AUJZOGDVCMFCOQ-DHRITJCHSA-N 419.916 4.776 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408897463 XCSPVHQJKRBVPX-JFLMPSFJSA-N 413.477 4.828 50 40 HJGB N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(SC(F)(F)F)cc1 804037 UDRKCFIVGZQISZ-OAHLLOKOSA-N 414.412 4.907 50 40 HJGB Cc1ccc(-n2nc(C)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)c2Cl)cc1 808865 MHACVJAQYRPSHW-LJQANCHMSA-N 422.916 4.593 50 40 HJGB aggregator COc1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1 1801133 MLPPWOCIMOXDHH-GJZGRUSLSA-N 413.109 4.533 50 40 HJGB COc1ccc2c(c1)C(=NNC(=O)Nc1ccc(Cl)cc1)c1cc(OC)ccc1-2 2275925 QARUHCWQGMJSGD-UHFFFAOYSA-N 407.857 4.912 50 40 HJGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 18144158 QBPOEWNBGCWUAP-MFKUBSTISA-N 401.470 4.501 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cc(Br)c1O 40139931 YIVACQAGLMDAQE-NYYWCZLTSA-N 415.218 4.574 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1 98067973 AGHBJXFLLLSBOR-IEOAWGNMSA-N 400.434 4.518 50 40 HJGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408805590 HBVBHHZQKJATMP-OQKWZONESA-N 408.457 4.823 50 40 HJGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccncc3)cc2Br)cc1 408911703 CIBWYKQFHJUMET-SRZZPIQSSA-N 416.300 4.661 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc([N+](=O)[O-])ccc1O 409040617 HDTYBLFALYZMIH-ZVBGSRNCSA-N 420.208 4.631 50 40 HJGB COc1cccc(CC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1 409187974 WCDIEZGQQJPWLY-XKZIYDEJSA-N 400.887 4.786 50 40 HJGB COc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2C1 2223217 JAZQDHDQOMLUGI-QGZVFWFLSA-N 423.563 4.637 50 40 HJGB aggregator C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 3168993 SHVHFFSZSQIDGW-YZSQISJMSA-N 400.478 4.523 50 40 HJGB CC[C@H](NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1cccc(C)c1 3616682 LXBVQMZTSSFXAJ-DEOSSOPVSA-N 402.538 4.620 50 40 HJGB C/C(=N\NC(=O)c1ccccc1I)c1ccc2ccccc2c1 4750818 KFYUJYGGNVZWKX-FYJGNVAPSA-N 414.246 4.598 50 40 HJGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12 5480628 NLZAUSURAPOQTA-OEAKJJBVSA-N 409.283 4.931 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1 5644160 WEQWPDFPOVKAAC-OQLLNIDSSA-N 400.862 4.690 50 40 HJGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1C(F)(F)F)c1cccs1 20494493 MKMRIFSRUXPKEI-WYMPLXKRSA-N 417.412 4.783 50 40 HJGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCC)cc1C 27018820 ZLHUJAYYAHRTHR-HMMYKYKNSA-N 414.509 4.680 50 40 HJGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccncc1 96398830 XHRWLSJSCRWQIW-ATVHPVEESA-N 413.458 4.983 50 40 HJGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1 408585994 ADUAAJVPGPHMOM-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1C 408592051 XHASUBRJLQSJGM-FSJBWODESA-N 410.861 4.728 50 40 HJGB BrC[C@@H]1CN(c2ccccc2)C[C@H](CBr)N1c1ccccc1 1718060 QNWZNKFPHRJKSB-HDICACEKSA-N 424.180 4.540 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(C#N)cc1 9202143 BSBOFMBTXFFRNS-JVWAILMASA-N 413.477 4.608 50 40 HJGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 59333981 QEUCIRHEPBPMAP-NVNXTCNLSA-N 419.706 4.677 50 40 HJGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 223175342 TZKGZCUVRIUPMM-STZFKDTASA-N 413.477 4.735 50 40 HJGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccccc1 408785626 IFRXLVOMSQNWNK-QRVIBDJDSA-N 420.563 4.946 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c1O 408811348 LEKIILNFIBKFBX-WUXMJOGZSA-N 421.678 4.671 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)n2c1 408865508 CSVLNFKJFMLBGR-BRJLIKDPSA-N 419.916 4.776 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c1 408954763 UZGBXDVWEFJTSF-POHAHGRESA-N 410.065 4.659 50 40 HJGB COc1ccccc1/C=N\NC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 408970143 BNODCEXOQPPFDM-NKVSQWTQSA-N 409.294 4.989 50 40 HJGB Cc1ccc(C)c(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1 409366232 SZPMMTUFQDWXNQ-MFKUBSTISA-N 414.534 4.910 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1 1246334 GGYBIBHTPPHNIX-FOWTUZBSSA-N 401.447 4.902 50 40 HJGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1 2283676 LXJJIDPHMFVEQK-BTYIYWSLSA-N 406.869 4.557 50 40 HJGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc5c(c4)n(C)c(=O)n5C)o3)[nH]c2cc1C 9236897 ZFYAYVSFLYECIX-GZTJUZNOSA-N 423.476 4.694 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cn2)c1C 107972047 DCYLQZOPODFOSE-JFLMPSFJSA-N 412.493 4.723 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1 408762854 LLYGSNVKDOVDIB-XMHGGMMESA-N 408.461 4.996 50 40 HJGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408724689 GUKZADRRSOLWOV-MJGLRYBLSA-N 401.850 4.785 50 40 HJGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)c1 409226889 XSRWPVOLZRHLBP-QFEZKATASA-N 422.868 4.640 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)ccc1OC 409313606 CRENCIBDKVYICS-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc2ccccc2c1 868399 TUKZKIIDEUYRFC-AFUMVMLFSA-N 418.884 4.516 50 40 HJGB CCc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59505962 UVFGTMLWZZNQKQ-YDZHTSKRSA-N 406.313 4.815 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)Cc3ccc(OC)cc3)cc2C(C)=CC1(C)C 208520223 CAHGDURFQHJDCK-QQXSKIMKSA-N 405.542 4.718 50 40 HJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(N2Cc3ccccc3C2)c1 408734218 GNQHYKDTTNIBAL-JFLMPSFJSA-N 407.473 4.830 50 40 HJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccncc1 409113281 HLCMDZINTLZKLP-UUYOSTAYSA-N 412.858 4.558 50 40 HJGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1 409209803 HGINLGSPOKWONO-ZHZULCJRSA-N 413.433 4.985 50 40 HJGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1 409225746 ONXFMUGZRSGXPM-QFEZKATASA-N 422.868 4.640 50 40 HJGB COc1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 1801180 DUNAJVOEXVYUKJ-CABCVRRESA-N 413.109 4.533 50 40 HJGB C/C(CC(=O)NC1CCCCCCCCCCC1)=N\NC(=O)c1ccccc1N 13286411 KGSGQHVJUULTCC-NLRVBDNBSA-N 400.567 4.554 50 40 HJGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408724669 GSHAOHAMOIXAHI-MFWPDGQHSA-N 401.850 4.785 50 40 HJGB CCOC(=O)Cn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c2ccccc21 408816463 WFFPJBDYLSCYCA-CPNJWEJPSA-N 415.493 4.675 50 40 HJGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cc(-c2ccccc2)nc2ccccc12 4843907 RTOTVUUICCOKGZ-LPYMAVHISA-N 402.435 4.635 50 40 HJGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NCc1ccccc1 6223131 CNHUVQXILHDZPW-SFQUDFHCSA-N 407.267 4.932 50 40 HJGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc(OC2CCCC2)cc1 8748670 LFLVKCUXKQWTBB-HXUWFJFHSA-N 416.502 4.801 50 40 HJGB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(C)C)cc2)N1C(=O)CCl 11692279 PKCCQPVWHBSAOH-NZQKXSOJSA-N 424.928 4.546 50 40 HJGB COc1ccc([C@@H]2[C@H]3C[C@H](c4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 34704635 HIMCHXQWQSFCCM-WNOPAQSVSA-N 406.489 4.683 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1319770 RXZWTFSWXIVZPS-HUSFYUSLSA-N 421.453 4.897 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1 5549465 VSWZTFCFJOVZTJ-SFQUDFHCSA-N 416.433 4.898 50 40 HJGB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1 8812314 QGOSJKNPGGSAMX-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)ccc1OCc1ccccc1 59401715 SBRVJBMZZDVMKE-LEBHPONQSA-N 420.534 4.905 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1 209280312 YVDAMIFPDKFYSS-RGEXLXHISA-N 402.425 4.959 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O3)cc1 660153 SCYMUFQMUANVBW-SFHVURJKSA-N 408.914 4.882 50 40 HJGB C/C(=C(/SS/C(C(=O)O)=C(/C)c1cccc(O)c1)C(=O)O)c1cccc(O)c1 1701077 LXMJGQKMKQGGBM-WHYMJUELSA-N 418.492 4.811 50 40 HJGB Cc1cccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1C 3146271 UUXIDQBFXWQFFU-JFLMPSFJSA-N 411.505 4.836 50 40 HJGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 6218215 CJUNTBVZWYPJFF-STZFKDTASA-N 412.445 4.818 50 40 HJGB Cc1c(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2n1Cc1ccccc1 12345900 UHUSOHMVGUJWDL-MTDXEUNCSA-N 424.548 4.757 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(C)c1 20194750 JIEIQASTVQFIRC-CVKSISIWSA-N 412.493 4.750 50 40 HJGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3OC)cc2[C@@H](C)CC1(C)C 223575770 JCQQVXZSEBAROJ-OMTSMLQXSA-N 423.557 4.645 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)cc1 408772746 MXYCRHXULOORCD-AUOWNFNXSA-N 420.520 4.610 50 40 HJGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408792851 LSXROIOTIZDCKL-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2)cc1 408808670 JXZJKLDQKMFSGQ-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1 9259688 CGFCNXKYJIZCFU-GXDHUFHOSA-N 422.824 4.852 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C#N)cc1 408961194 BHFJNWQUNYTKMA-UVHMKAGCSA-N 410.399 4.749 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1Cc1ccccc1 408961855 ORDOFRSYKKQRNC-ZMOGYAJESA-N 416.437 4.572 50 40 HJGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCc1ccccc1 408988845 SKPRGEJJWSVQNI-UCQKPKSFSA-N 416.484 4.785 50 40 HJGB COc1cccc(COc2ccccc2/C=N/NC(=O)c2ccc3ccccc3n2)c1 1425088 HMDCVHROBGVFHY-WGOQTCKBSA-N 411.461 4.586 50 40 HJGB C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4697744 KFLVYUCNGBMMDP-SSNBBSKJSA-N 401.850 4.785 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1 4922806 QDPHWGDBHYXJSU-HXUWFJFHSA-N 405.523 4.613 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(F)cc3)o2)c(Br)c1 8368395 WGSBRUIPNCEKSA-SSDVNMTOSA-N 401.235 4.921 50 40 HJGB COc1ccc2nc(/C(C#N)=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)[nH]c2c1 9263636 BPFPQABJRPLHEM-UKTHLTGXSA-N 416.393 4.812 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](/C(C)=N\NC(N)=O)[C@@]4(C)CC[C@H]32)C1 257198379 GFJOPLHDGOHLPB-BCCZLGJKSA-N 415.578 4.541 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(F)cc1 408935489 HJBLETVJQRVAGL-PDGQHHTCSA-N 417.396 4.859 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1 409213929 VSTSLGZGAVGZPG-NDENLUEZSA-N 401.422 4.853 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409215358 ZOOHOPOAVPNPKA-LVCXCXRVSA-N 406.935 4.768 50 40 HJGB Cc1sc2nc3n(c(=O)c2c1C)C[C@@H](Br)[C@H](c1ccccc1)S3 4942574 ABHBMVXRHLIQBV-OCCSQVGLSA-N 407.358 4.685 50 40 HJGB Cc1cc(Br)cc2sc(NC(=O)[C@H](Br)C(C)C)nc12 20133278 ASZTWDNXWDEYMH-SNVBAGLBSA-N 406.143 4.725 50 40 HJGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(Cl)cc1 59459318 FJOOJEAWSJVMLK-SSDVNMTOSA-N 421.722 4.510 50 40 HJGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(CSCc2ccccc2)cc1 59473097 OMWJGFZKBRYDFV-OEAKJJBVSA-N 405.479 4.792 50 40 HJGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1 408894533 IHJZNZCPLOFAFM-SFQUDFHCSA-N 415.405 4.941 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(I)cc2)cc1Cl 408988532 RCXAHZYFMPSPMQ-JYRVWZFOSA-N 422.653 4.799 50 40 HJGB N#C[C@H]1c2ccccc2C=CN1C(=O)c1ccc(N(CCCl)CCCl)cc1 1718757 WBKMQSNBQQLIAY-FQEVSTJZSA-N 400.309 4.662 50 40 HJGB CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccc(C)cc1 1835900 OKDOVWREOFEAAG-FNCHSGSASA-N 419.554 4.571 50 40 HJGB COc1cccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1 2433502 ATMFMYCNNLMZSA-GOSISDBHSA-N 411.914 4.568 50 40 HJGB O=C(N/N=C/c1cccc2ccccc12)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113041 QSYQRLZCPKMKJV-OVVQPSECSA-N 417.472 4.851 50 40 HJGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2)cc1 3628358 DRBGNAYYVUURPH-DEOSSOPVSA-N 412.445 4.521 50 40 HJGB COCCCNC(=O)/C(C#N)=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 5015246 GCAGQSYLTXPZAU-CJLVFECKSA-N 423.516 4.902 50 40 HJGB C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 17090490 AHWGMJQLHFZHJU-MSXFZWOLSA-N 416.264 4.993 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)cc1 20243965 ZMXSXCBILHGKFF-BUVRLJJBSA-N 406.507 4.871 50 40 HJGB N#C/C(=C/c1cc(Br)ccc1F)C(=O)Nc1ccccc1Br 48365674 QTSZRWBNXIHLEM-XFFZJAGNSA-N 424.067 4.896 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 59104261 DWEALSFRGKBION-ATVHPVEESA-N 416.433 4.898 50 40 HJGB CC/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 59473722 DDLYNRDTHQJFLR-OLDCTRRGSA-N 406.935 4.768 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Br)cc1)[C@@H]2Br 100848787 KDJJWYOMSAPXJR-KCXAZCMYSA-N 401.142 4.977 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(O)c1 409393653 YTRRBEAAMKFQFH-LSHDLFTRSA-N 405.237 4.732 50 40 HJGB O=C/C(=C\Nc1ccc(C(=O)N2CCCCC2)cc1)c1nc2cc(Cl)ccc2o1 666214 ICACRNMBCNAOER-DTQAZKPQSA-N 409.873 4.759 50 40 HJGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1sc2ccccc2c1Cl 670946 CTRUXBFANDXEGI-UHFFFAOYSA-N 410.882 4.548 50 40 HJGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O1 706061 FAVPWIOAYOWVSE-LJQANCHMSA-N 414.383 4.530 50 40 HJGB CN(C)N(C(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 728322 GBVQZRVRFCFKIF-UHFFFAOYSA-N 415.320 4.739 50 40 HJGB COc1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc(OC)c1OC 1434886 QKDUURIFWDOEKL-CVKSISIWSA-N 414.461 4.783 50 40 HJGB CCOc1cc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC 3210780 QXOTXFKKTGFIQH-DHRITJCHSA-N 424.419 4.665 50 40 HJGB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)CCCl)cc1 8835974 RLCXFWVPUDNXKF-GOSISDBHSA-N 421.722 4.764 50 40 HJGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc(C(=O)O)cc1 107681137 SANYGQJJLYGPOS-UYRXBGFRSA-N 416.408 4.606 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc([N+](=O)[O-])cc1 408829825 XMCAOLYJEUGTEO-SFQUDFHCSA-N 404.401 4.687 50 40 HJGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1cccc(Cl)c1 408859019 VCQODYIPFHOASY-WQLSENKSSA-N 420.694 4.841 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(F)c1 408968566 XIICMEDIRIRNCD-LGJNPRDNSA-N 407.832 4.694 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)c(Cl)c1 409053194 MOVCEHRMKRTJEI-VULFUBBASA-N 403.869 4.863 50 40 HJGB Cc1ccc([C@H](Br)[C@@]2(Br)COc3ccccc3C2=O)cc1 3138098 MYIMIESVURRHAN-RDJZCZTQSA-N 410.105 4.840 50 40 HJGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(O)cc1 4090207 IUWDWWDPQJRIAH-BRJLIKDPSA-N 401.388 4.582 50 40 HJGB COc1c(Cl)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 8106435 DQNPTUDEGFZNTB-OVCLIPMQSA-N 414.292 4.749 50 40 HJGB CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(N)=O)cc1 9434879 KVKXKCHIRQDCAH-ZGUVFNMESA-N 424.328 4.967 50 40 HJGB COc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC 16227108 ZXMFXHVVESFUQY-SXGWCWSVSA-N 416.458 4.998 50 40 HJGB CCc1cc(Br)cc2sc(NC(=O)[C@@H](Br)CC)nc12 20132335 ZHESUKHVQFLLDC-VIFPVBQESA-N 406.143 4.733 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1 33684334 IZKOWYQOULVYNF-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1C 33780163 USPHNDIWUBPUFU-CFRMEGHHSA-N 424.888 4.657 50 40 HJGB C[C@H](NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1)c1ccccc1 225721540 NCEFWYGCAXBQQH-RCBQFDQVSA-N 411.137 4.764 50 40 HJGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NCCc1ccccc1 408806299 MOAAUVGOMIXNER-FOWTUZBSSA-N 421.840 4.774 50 40 HJGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409014773 JGAYFGFWDYYVKK-QFEZKATASA-N 422.868 4.599 50 40 HJGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 409071690 POAIDTQCZUNIMU-XMHGGMMESA-N 404.466 4.543 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 1083416 VEUIODAMTRRNEU-FOKLQQMPSA-N 419.264 4.938 50 40 HJGB Cc1ccc(OCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1C 1897166 SGWUZYBUVVBLKN-VULFUBBASA-N 422.912 4.782 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1 6746255 CGHDXVBYGSKGQB-FQEVSTJZSA-N 419.550 4.867 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 59445278 VVZUBCCMTJFGEV-ZMOGYAJESA-N 413.260 4.977 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1O 408734867 KSTDBBKDDSPFDE-LFYBBSHMSA-N 421.678 4.671 50 40 HJGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408816294 YGKMKFPTWYCYLO-GGYPHYNPSA-N 419.481 4.776 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 408896732 ZMOBJRGQYSWATP-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)ccc1Cl 408950881 HTTRRQDBCSBMJG-MFKUBSTISA-N 424.884 4.860 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCC#N 408989775 LZFSVHDIFHKOKM-LDADJPATSA-N 421.884 4.834 50 40 HJGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 409067143 PHWWHVBDTKPWGW-XMHGGMMESA-N 404.466 4.630 50 40 HJGB N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)NCCCc1ccccc1 409232940 CKOCVKYRQVGASU-WJDWOHSUSA-N 408.299 4.586 50 40 HJGB CCCCCc1cc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)c2ccccc2n1 1595123 XMBMVMNYWZHQCY-PCLIKHOPSA-N 402.498 4.690 50 40 HJGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1OC 2283692 JGWAJLWFVYNDEQ-NTCAYCPXSA-N 421.478 4.575 50 40 HJGB Cc1ccccc1Nc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)s1 3313849 QKSGNGDBIMIBCJ-UHFFFAOYSA-N 420.523 4.524 50 40 HJGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(F)c2)cc1)c1nc2ccccc2[nH]1 9187414 AJBMWSIFHJFLSZ-SFQUDFHCSA-N 412.424 4.784 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 408528780 IFINUPDMOCRLJV-WPWMEQJKSA-N 410.473 4.948 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 408743632 BOUIXVFBAMUZOY-WJDWOHSUSA-N 403.394 4.718 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1C 408996345 DDOIXUPRYVMTJA-CPNJWEJPSA-N 404.470 4.748 50 40 HJGB COc1ccccc1OCC(=O)N/N=C\c1ccc(Sc2ccc(C)cc2)cc1 409245721 YDTKJJZAOLJEKE-IWIPYMOSSA-N 406.507 4.684 50 40 HJGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(=O)OC)n2)cc1 1246807 XYAAHUNIZPXYRW-DTQAZKPQSA-N 405.479 4.972 50 40 HJGB CC(C)/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 4525811 PRCLDTDMNMWALZ-LKUDQCMESA-N 406.313 4.889 50 40 HJGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2)c1 408542071 JXBXEOKXXVLDNC-BKUYFWCQSA-N 412.445 4.818 50 40 HJGB Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1C 409008312 VRRVUXVGGRYZLG-VYYCAZPPSA-N 402.542 4.890 50 40 HJGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 3262779 FWOFTQXVMXECFM-MOSHPQCFSA-N 421.456 4.933 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccs2)c1C 4083448 QGIIXAMSQIJXPS-WOJGMQOQSA-N 420.494 4.596 50 40 HJGB O=C(N/N=C(/C=C/c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccccc1 5584515 KWFJKYKEGVKQEJ-YUUJYZQZSA-N 411.461 4.932 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccccc1Br 42653618 PCPQFEMDHDRATN-XYOKQWHBSA-N 406.077 4.757 50 40 HJGB N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 408758651 OMYNUPMAMQXQOP-WDZFZDKYSA-N 406.623 4.556 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408866409 HFGDGOOSPTUXFN-WGWMNZJLSA-N 400.862 4.575 50 40 HJGB C/C(=N\NC(=O)c1cccc(I)c1)c1ccc2ccccc2c1 20159161 BHUXOVLLOLURCA-FYJGNVAPSA-N 414.246 4.598 50 40 HJGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409131200 NODIQXXCXAVBOU-FSJBWODESA-N 424.353 4.725 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1[N+](=O)[O-] 3093420 NFDQJJSVRXOIRM-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB N#CC(=C\c1ccc([N+](=O)[O-])cc1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 4953783 JBLVIIXQSCJAHM-YRNVUSSQSA-N 406.276 4.717 50 40 HJGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl 20238183 HVJHMGWVWQUUCI-CQSZACIVSA-N 405.926 4.827 50 40 HJGB COc1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 100296504 VCUCPYHYJRCGRV-QINSGFPZSA-N 401.447 4.902 50 40 HJGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408818591 XJZWVMFYXFATAZ-LELVYMQHSA-N 419.481 4.776 50 40 HJGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408949471 IDFNUFXRXVPNIU-VJOZSWGJSA-N 417.509 4.620 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc12 408951110 LIEAPKDYCYUVBN-HKWRFOASSA-N 409.489 4.986 50 40 HJGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 5685133 BLGUEIFRORDGBJ-PCLIKHOPSA-N 400.869 4.957 50 40 HJGB CC(=O)Oc1cccc(/C=C(/C#N)c2nc(-c3ccccc3OC(C)=O)cs2)c1 32679264 NVURYIVKAPSKKD-YVLHZVERSA-N 404.447 4.725 50 40 HJGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccccc1Cl 58871424 YDSHGUGWOGBQGM-MFKUBSTISA-N 408.885 4.620 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccs1 59197655 IBCZPYJFVKREJG-CIAFOILYSA-N 415.312 4.854 50 40 HJGB CCOc1ccc(NC(=O)N/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1 408850747 DPLNOYYMXDCORF-QRVIBDJDSA-N 407.426 4.508 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC(=O)c1ccc(C)cc1 408879521 GRCJVRQEGMZIJP-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccccc1Br 409190351 XLFLCEWZCMWRGC-ATVHPVEESA-N 412.331 4.822 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 887378 YTTRCZUHCIRFCK-VCHYOVAHSA-N 419.506 4.605 50 40 HJGB O=C(COc1cccc(Br)c1)NN=C1CCC(c2ccccc2)CC1 5773161 YMSNBGXJTIDQCZ-UHFFFAOYSA-N 401.304 4.658 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 8812353 RMFCBTSHWQNHDU-DHRITJCHSA-N 412.848 4.831 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(C#N)cc1 8812490 QMIBALIYDXADHS-RWPZCVJISA-N 410.452 4.773 50 40 HJGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 9019315 QERUGEBYBCBLSZ-NRFANRHFSA-N 423.428 4.697 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)o1 408960390 FLLZKELCXIPEHA-MYYYXRDXSA-N 413.433 4.508 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OCc1c(F)cccc1Cl 409372422 NBIOPWCHUPTIAR-LFIBNONCSA-N 414.864 4.596 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)o2)cc1 2255565 BLYBFGKNKJBVLT-QGOAFFKASA-N 416.433 4.678 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)ccc1OC 4505990 AWSJVECVCXHIFJ-MORQCWLFSA-N 416.521 4.879 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc2ccccc2c1 59334434 GIHBZCLPUKVRCC-XKZIYDEJSA-N 400.478 4.813 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1Cl 408718818 MIIVEZSPCSQHLU-FOKLQQMPSA-N 419.264 4.938 50 40 HJGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408797703 SOZOWPVVQFTURL-MDWZMJQESA-N 416.662 4.551 50 40 HJGB N#CC(C(=O)COC(=O)CC(c1ccccc1)c1ccccc1)=C1Nc2ccccc2N1 2639855 DJKCXMLXQNCKQV-UHFFFAOYSA-N 423.472 4.594 50 40 HJGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(OC)cc2C)cc1 408789744 KSPLSZZGYZJLHS-XDHOZWIPSA-N 406.482 4.849 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)o1 408803253 MZFOZQMITFTFCW-APVMCDBPSA-N 401.422 4.948 50 40 HJGB Cc1cc(C)cc(NC(=O)N/N=C\c2cc(Br)c(Br)o2)c1 408952959 NKXCAMNWBCLLRP-IDUWFGFVSA-N 415.085 4.577 50 40 HJGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)c1 409048671 UHHWAHLCZCFLDP-XMHGGMMESA-N 408.461 4.953 50 40 HJGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409085994 UGNVNAOQNXCZAL-AUEPDCJTSA-N 417.248 4.675 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)c1cccc([N+](=O)[O-])c1 409214879 VCMVLPBHMINQDY-FOKLQQMPSA-N 403.316 4.638 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(Cl)c1 408722500 JORBUQRSSLIGIT-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB N#C/C(=C/c1ccccc1Br)C(=O)Nc1cccc(Br)c1 408755898 PVQKUWXPKISHHQ-WQLSENKSSA-N 406.077 4.757 50 40 HJGB COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(C)c(Br)c2)o1 409254060 CZLZJDSGYHMNCE-WSDLNYQXSA-N 413.271 4.790 50 40 HJGB Cc1ccc(-c2nc3sccn3c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 4003180 PZTPBWXUCCELGI-QGOAFFKASA-N 405.504 4.710 50 40 HJGB COC(=O)C(OC(=O)NCCCCCCCl)(c1ccccc1)c1ccccc1 4199410 TVZJOUKGTMNJEW-UHFFFAOYSA-N 403.906 4.629 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccccc2N)c2ccccc2n1Cc1ccccc1Cl 6328814 NIROBQBWRDXPDU-MZJWZYIUSA-N 416.912 4.998 50 40 HJGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OC(C)C)C(C#N)=C(N)O3)c(C)c1 8382722 XHGJNARVAGMFEN-FQEVSTJZSA-N 400.482 4.699 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C/C(=N\NC(=O)c5ccncc5)CC[C@]34C)[C@@H]1CC[C@@H]2O 118933779 ZAQOQSOUOGJYLA-JFBSOCOUSA-N 409.574 4.571 50 40 HJGB COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1 2345202 AHHBQPTZKAQKLM-HXUWFJFHSA-N 405.523 4.532 50 40 HJGB CCOc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc12 4499577 RAUUYNOAJLJRNK-VULFUBBASA-N 400.400 4.950 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccc(Oc2ccccc2)c1 20086658 TXKLLCSBLYHZJZ-NRFANRHFSA-N 420.424 4.620 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 59334264 JKKSFODSTGONKW-NVNXTCNLSA-N 405.281 4.576 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc(Br)ccc1O 409083674 LJJISGCGFBOHBP-RGVLZGJSSA-N 417.284 4.663 50 40 HJGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(Cl)cc1 4292572 LGVSHKQLQNZTLX-HNNXBMFYSA-N 416.790 4.763 50 40 HJGB biogenic O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 14134824 COAVLJJVWRCQOQ-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c(C)c1 409190924 BMDXLOWNWRVKSL-DHRITJCHSA-N 423.900 4.606 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1cccc(C)c1 409198744 DVYONYFSHJZIBJ-BUVRLJJBSA-N 408.523 4.727 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(CCC)cc2)c(OCCC)c1 4412843 HYOIQLVWGJZIMP-KOEQRZSOSA-N 412.530 4.746 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(C4CCCC4)C(=O)C(C#N)=C3C)o2)cc1 16806582 DWVUYUWXBXKRLT-BKUYFWCQSA-N 414.461 4.684 50 40 HJGB COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(OC)c1OC(C)=O 31904626 HACBOAWBDFNMQG-MFOYZWKCSA-N 406.463 4.817 50 40 HJGB Cc1ccc(Sc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2[N+](=O)[O-])cc1 32124605 YMJOLSSBZZFRTD-HAHDFKILSA-N 405.479 4.747 50 40 HJGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCC 408868235 ONLMLVBDUCBOOS-ZFNOHFBCSA-N 423.351 4.523 50 40 HJGB Cc1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 408996998 FVVIYCIYVVDDCK-QRVIBDJDSA-N 410.315 4.929 50 40 HJGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccccc1 409364990 RYVWEDJZOPBAGN-IMRQLAEWSA-N 416.521 4.920 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c(C)c1 4739165 ZEOGFWLNAPGYRA-DHRITJCHSA-N 409.917 4.893 50 40 HJGB O=C(NN=C1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247202 UJXLOXNWOYIWOT-QHCPKHFHSA-N 407.539 4.511 50 40 HJGB Cc1ccc(NC(=O)CCNC(=O)c2ccc(S(F)(F)(F)(F)F)cc2)nc1 97977138 HUDLEAYSTKNQEV-UHFFFAOYSA-N 409.380 4.806 50 40 HJGB COc1ccc(Cl)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408854497 GUHABNVLPBGMKD-UKWGHVSLSA-N 407.651 4.621 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409135990 VMYHUZSTBUDYIJ-NRFANRHFSA-N 424.859 4.873 50 40 HJGB O=C(COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1)Nc1cccc(Cl)c1 409183704 DCGBXXOKXBAVDU-ZVHZXABRSA-N 422.872 4.513 50 40 HJGB Cc1cc(C(C)(C)C)ccc1OCCCC(=O)NNC(=O)c1cc2ccccc2o1 1531326242 BFBAGZPORRBPSV-UHFFFAOYSA-N 408.498 4.659 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)N1CCc2ccccc2C1 876873 OTBJIWQAFVRSLQ-MFKUBSTISA-N 419.484 4.629 50 40 HJGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(O)c(O)c3)cc2)cc1 3219617 WZNZICJJWYAHRZ-CVKSISIWSA-N 418.493 4.738 50 40 HJGB CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 27016096 ZFOLUBHANLXCSA-HKWRFOASSA-N 414.484 4.844 50 40 HJGB N#C/C(=C\c1cc(Br)cs1)C(=O)Nc1ccccc1Br 44028607 LBIGCYQJOAHCGK-WEVVVXLNSA-N 412.106 4.819 50 40 HJGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 67197091 VFFDFBKWIJKKIN-BHGWPJFGSA-N 418.280 4.824 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(NC(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 102970286 OXLOFSOSALNCTL-KTKRIYFQSA-N 412.917 4.673 50 40 HJGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(OC)cc1 409020511 QBSRLVXEIBIRAK-XYGWBWBKSA-N 406.482 4.556 50 40 HJGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cl 804203 FFLYFQHOQHYOSB-MRXNPFEDSA-N 407.297 4.843 50 40 HJGB Cc1c(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cnn1Cc1ccccc1 40143073 VBYKZPQTVVPWMW-UHFFFAOYSA-N 409.704 4.957 50 40 HJGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3C(=O)O)o2)c1 408784424 BUDHOCWKXIKFLT-VBKFSLOCSA-N 416.433 4.978 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 408887548 RMCCFMIEGBYUBT-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1 408962787 VAIZWPNNROSGAM-OPEKNORGSA-N 416.355 4.736 50 40 HJGB Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CSc1ccc(Cl)cc1 409216863 PBUWXSQDJCNQDK-OEAKJJBVSA-N 401.963 4.881 50 40 HJGB Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2)cc1 409359940 CNVDHSVUWFGHDJ-VULFUBBASA-N 407.901 4.790 50 40 HJGB CCN(CC)c1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c(O)c1 2062597 RCKWFNJQZHICRV-UHMUDZAOSA-N 407.558 4.790 50 40 HJGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1F 4576139 GCKJZSDFALVTPM-DHRITJCHSA-N 412.848 4.831 50 40 HJGB COc1cccc(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1 4700485 ORTRENPRGDMOBA-XHPQRKPJSA-N 415.493 4.681 50 40 HJGB C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 5620965 MMSMPUDGSBSHKH-GILQPYTJSA-N 403.507 4.644 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 8117060 DDJQDWFFKBWGJE-MFKUBSTISA-N 408.885 4.620 50 40 HJGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC1CC1 17092101 ITXGNNXQERVWFO-LFIBNONCSA-N 420.310 4.638 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1O 408788513 KOAKULAWLYRQRA-CPNJWEJPSA-N 400.434 4.525 50 40 HJGB CCn1c(/C=C(/C(=O)c2ccccc2)N2C=CC=CC2=C(C#N)C#N)nc2ccccc21 8844869 RVNYJHWEMOTYNO-JLPGSUDCSA-N 417.472 4.967 50 40 HJGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 33655271 NSPYIVOJMGDRHF-AFUMVMLFSA-N 421.884 4.641 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1-n1cccc1 59101607 UVLOCMHVYCKXPD-WPWMEQJKSA-N 413.452 4.959 50 40 HJGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NC(C)C)cc1 408777454 ZTKPWAZBWIJJFY-ZDLGFXPLSA-N 413.315 4.768 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Cl)cn34)c2C)cc1 408866563 HEFIDHLCJJNQHE-BRJLIKDPSA-N 419.916 4.776 50 40 HJGB CCN(CC)c1ccc(N=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 1108005 ABBMVJQNIOSCHF-UHFFFAOYSA-N 402.461 4.921 50 40 HJGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)cc1 1773140 QRONKQQHSBQYAU-CAPFRKAQSA-N 406.482 4.978 50 40 HJGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NCc2ccc(Cl)cc2)cc1 4108423 AVOPHZKNTMEYMM-ZVHZXABRSA-N 408.845 4.624 50 40 HJGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1 6204756 GSJGINDPRQRPST-MOSHPQCFSA-N 413.433 4.985 50 40 HJGB Cc1ccc(-c2ccsc2C(=O)NNC(=O)N[C@H](c2ccccc2)C2CC2)cc1 9537040 JXKNXEAHDGLXBN-HXUWFJFHSA-N 405.523 4.819 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 16688050 BEOHBRNCKXZQSX-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CC3(C)SCCS3)cc2)cc1 409220216 ZLHAYQIFWSPDKD-HYARGMPZSA-N 400.569 4.610 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1O 1024235 WWVFKPWGVKLILY-SDNWHVSQSA-N 409.239 4.960 50 40 HJGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc(Br)cc1 3115054 LMUCCVHMBABTIA-WSDLNYQXSA-N 403.320 4.584 50 40 HJGB N#CC(C(=O)CSc1nn(-c2ccccc2)c(=S)s1)=C1Nc2ccccc2N1 3350088 QGLRSMYAFRGQAB-UHFFFAOYSA-N 423.548 4.597 50 40 HJGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)c1 9192961 ZGWPVZVMQNSWDP-JOCHJYFZSA-N 420.472 4.970 50 40 HJGB N#CC1=C2SCN(CCCc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1 20348116 NYJINFHPEBZKDX-HXUWFJFHSA-N 423.969 4.988 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Cl)c(Cl)c1 59281771 UODAMPVWTHAOOL-OVCLIPMQSA-N 417.292 4.767 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC#N)cc1C 408788894 MWHGAGUEAKPQMJ-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408852790 NLOBEXWLAHZOJU-UKWGHVSLSA-N 407.651 4.621 50 40 HJGB CC[C@@H](C)n1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cccc(C)c21 409029955 DMDZMKPFBYRJII-SAMUYDCASA-N 423.586 4.878 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 2942892 UMIOLTKHYIWIAI-XNTDXEJSSA-N 415.287 4.792 50 40 HJGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)c1 3222480 UHAFECCQQNERJC-VULFUBBASA-N 418.493 4.873 50 40 HJGB CCC/C(=N\NC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1)c1ccccc1 4578120 SLZNMVOGJTUXRO-SOYKGTTHSA-N 400.522 4.860 50 40 HJGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 5739024 ONTHPVYETHAWLP-LITAXMHPSA-N 402.281 4.803 50 40 HJGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1 9413889 JAHWFKMKJLGACK-NRFANRHFSA-N 408.461 4.847 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2C#N)cc1 20197798 WISQZISGXFZYFF-WPWMEQJKSA-N 413.477 4.690 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)c1C 408542475 LSDXUWZJZBISEX-MTJSOVHGSA-N 413.477 4.955 50 40 HJGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(OCC)c1 408747276 LMSAPRSOQDTGCS-PTNGSMBKSA-N 415.287 4.792 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccccc1F 408771842 IPVCJYAYILZRPH-BKUYFWCQSA-N 422.500 4.963 50 40 HJGB COc1ccc(/C(C)=N/NC(=O)CCSc2ccc(C)cc2)cc1Br 409126834 HXMSZKJDVMDEMF-KGENOOAVSA-N 421.360 4.789 50 40 HJGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)OCO2 409361285 GUPFPXKMUPUFSQ-GRSHGNNSSA-N 400.390 4.967 50 40 HJGB CN(C)c1ccc(/N=N/c2ccc(NC(=O)CI)cc2)cc1 4521418 BJZFHCLYIVJTHX-FMQUCBEESA-N 408.243 4.542 50 40 HJGB O=C(COc1ccccc1-c1ccccc1)NNc1c(F)c(F)c(F)c(F)c1F 6981221 NVYFPGRZJXSGAU-UHFFFAOYSA-N 408.326 4.571 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(C#N)c1 9201796 ZBCYMUIHSLIVQF-VULFUBBASA-N 403.869 4.863 50 40 HJGB Cc1cc(NC(=O)N/N=C/c2ccc(N3CCCC3)cc2)ccc1Br 59104610 PATGSDQGVZATON-FYJGNVAPSA-N 401.308 4.513 50 40 HJGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408761567 GTIICRANBQUGGM-NTUHNPAUSA-N 419.662 4.573 50 40 HJGB CC(C)NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 408776825 RBEFPWIDAIHSBZ-ZROIWOOFSA-N 419.359 4.837 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)c(C)c1 408814762 HOYHSLHIRISMIQ-VBKFSLOCSA-N 404.397 4.726 50 40 HJGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 408988044 CHXAMHFNESNDMZ-LFIBNONCSA-N 405.435 4.764 50 40 HJGB Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1 409213713 QLDCYCODWSVQAZ-WYMPLXKRSA-N 412.946 4.693 50 40 HJGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1[N+](=O)[O-] 409238800 NUYSZEDNHBBMES-JJBLJPBOSA-N 401.422 4.948 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409351696 YGYQHSWTBRUEFS-YSURURNPSA-N 406.244 4.955 50 40 HJGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 7738325 OOPYAZMLQNXIJX-ZVHZXABRSA-N 416.506 4.628 50 40 HJGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(Br)c1 12289873 JBOCKGQAVHXQEC-SSDVNMTOSA-N 423.738 4.929 50 40 HJGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)cc1Cl 57476870 GSRRVXLDMGBRES-FOKLQQMPSA-N 419.264 4.791 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@H](Br)C2=O 100868189 NEVYBORRHNCPOB-CZAAIQMYSA-N 400.316 4.937 50 40 HJGB Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(C)o1 102455894 PRURAFVHIRDPHW-SOYKGTTHSA-N 423.472 4.731 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1 408796477 YKHXBDGYSJHNIR-KGENOOAVSA-N 409.445 4.692 50 40 HJGB C=CCc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc(OC)c1OCC(=O)O 408858233 QWVKONGPEXLFMU-MFOYZWKCSA-N 417.383 4.970 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 2272878 JLRPYXQWETZYEH-AFUMVMLFSA-N 414.421 4.570 50 40 HJGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 4922795 JMLCFBDTVIFLRJ-IBGZPJMESA-N 405.523 4.613 50 40 HJGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3ccccn3)cc2OC)cc1 5897539 QYWLVJADGADJOF-DEDYPNTBSA-N 400.434 4.520 50 40 HJGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3F)o2)c(Br)c1 8368409 JPOGNOWUOULHPI-SSDVNMTOSA-N 401.235 4.921 50 40 HJGB O=[N+]([O-])c1ccc(/C=C\[PH](c2ccccc2)(c2ccccc2)c2ccccc2)o1 104198735 PGVMJMAEXLYXJB-HNENSFHCSA-N 401.402 4.885 50 40 HJGB COc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OC 408568910 XLRHKCUKLJUYRJ-VZUCSPMQSA-N 402.223 4.546 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccccc1 408748795 HQACCZKEQXNOHO-WGOQTCKBSA-N 418.493 4.745 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)nc1 408947317 BYPORPSZUQFOOC-XKZIYDEJSA-N 423.520 4.545 50 40 HJGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2)cc1 409065656 INPJHNJVTPIDBN-NBVRZTHBSA-N 416.458 4.968 50 40 HJGB O=C(Cc1cccs1)N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 409197185 XZMQFJWUMIEFAC-FSJBWODESA-N 402.878 4.812 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1OCc1ccccc1 409368099 NHSQYRLXNVVZSS-PXLXIMEGSA-N 402.494 4.532 50 40 HJGB C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 4402131 HSHFGIPJTJXBJX-GBZINIMXSA-N 413.521 4.656 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1N1CCCC1 4674882 QPUUDVQAZKZHCR-OVVQPSECSA-N 413.521 4.791 50 40 HJGB CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)[nH]n1 9041052 OMWJOUGWNBLNKF-MFKUBSTISA-N 415.497 4.809 50 40 HJGB Cc1ccccc1-n1ncc(C(=O)NNc2ccccc2C(F)(F)F)c1C1CC1 29820825 UMBCYBKHTYIAIE-UHFFFAOYSA-N 400.404 4.834 50 40 HJGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1 32216652 MDBFAGHAMMEXRZ-DGMIEQENSA-N 413.477 4.668 50 40 HJGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1 408677623 SVTSZMGGGACPCV-PCLIKHOPSA-N 401.466 4.513 50 40 HJGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)c1 408761042 GVKJRDWOQDMPPW-YDZHTSKRSA-N 422.510 4.553 50 40 HJGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3)c2C)c1 408966856 NVFWMIOGNGCPDB-MYYYXRDXSA-N 418.497 4.735 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409237530 XGDXUAUGDDBEMD-ZKMNFCBKSA-N 417.421 4.648 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccccc1 9202001 KFJWWRMWQFGWHN-AFUMVMLFSA-N 408.885 5.000 50 40 HJGB CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 40159610 PIFANHYIPYACEW-QNGOZBTKSA-N 416.525 4.969 50 40 HJGB Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12 59104755 XOTDVQUWHLVOAK-JWGURIENSA-N 412.537 4.733 50 40 HJGB O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 59417851 GOGXJLGSJMBQIY-SSDVNMTOSA-N 403.221 4.570 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1 408781035 QHDJRVRAQLZWOZ-KAMYIIQDSA-N 416.462 4.861 50 40 HJGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)[nH]c2c1 409391844 LURWGJQQXOASAR-YVLHZVERSA-N 413.437 4.951 50 40 HJGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1 789001 BYIRIXVAWMMZDP-FQEVSTJZSA-N 410.470 4.589 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(F)c3)o2)cc1 13738988 GYMZTYJXVJCOEO-ATVHPVEESA-N 404.397 4.808 50 40 HJGB Cn1cc(C(=O)NN[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc21 15501168 OOGNCJYCSVLVBT-XMMPIXPASA-N 422.488 4.518 50 40 HJGB Cc1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 59472637 IZEZJCXUDJOUJD-FVDSYPCUSA-N 419.484 4.829 50 40 HJGB N#C/C(=C/c1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 211411136 XKVMEWUSFXONKP-XFFZJAGNSA-N 406.623 4.556 50 40 HJGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408801489 UAEHLKCIZFNPOW-XMHGGMMESA-N 421.928 4.711 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1 408806996 BTSGIPLOOUUCQH-UNOMPAQXSA-N 417.440 4.566 50 40 HJGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(-c2cccc(F)c2)o1 409009729 HRYNXASQEXLBPF-JJFYIABZSA-N 411.483 4.938 50 40 HJGB CC[C@@H](C)c1ccc(OCCOc2ccccc2/C=N/NC(=O)c2ccncc2)cc1 4499467 QGNANGDHZVXSHW-RTMGKINMSA-N 417.509 4.817 50 40 HJGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 5573666 WPXKORCWLNYCNY-FCYBPZHVSA-N 412.873 4.900 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 409040079 FMHVLPJTEFEVLV-UNOMPAQXSA-N 400.390 4.936 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1C 409213961 USDMMBWFYAFPMV-HMAPJEAMSA-N 412.493 4.651 50 40 HJGB CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] 5896146 OZBSSASZKVCASJ-NBVRZTHBSA-N 414.469 4.745 50 40 HJGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C\c2ccc(N(C)C)cc2)c1 32216615 GJXJEZIRTXHJCW-AEJDXJHNSA-N 411.549 4.826 50 40 HJGB C/C(N)=C(\C#N)C(=O)CSc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1 104349005 QQIHBNPAGDHIGP-MNDPQUGUSA-N 402.523 4.778 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1 111845491 TYSIFUUENJKADO-VBKFSLOCSA-N 402.406 4.508 50 40 HJGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 215588125 DSEYZTRFDOVQFI-DHDCSXOGSA-N 415.287 4.711 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(F)cc1 409241777 YNJFKMDZVKUJSW-JWGURIENSA-N 401.485 4.889 50 40 HJGB O=C(N/N=C1\CCc2ccccc21)c1ccc(COc2cccc3cccnc23)cc1 5504494 AOQXIHKWAYMIJG-WEMUOSSPSA-N 407.473 4.894 50 40 HJGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2cccc(C#N)c2)c2ccccc12 9202596 JJBFTBKMLMMQGG-LQKURTRISA-N 406.489 4.942 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1O 20787122 ARNAEMXFIOKNBR-WUXMJOGZSA-N 421.678 4.671 50 40 HJGB CSc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 58915675 IPYMUTYWCGLPER-VXLYETTFSA-N 409.374 4.555 50 40 HJGB COc1cccc(C(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1 408843668 RPRKOOUJXIJQNB-CVKSISIWSA-N 421.884 4.755 50 40 HJGB COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409015734 QGMTYEJAGJNEIH-ODCIPOBUSA-N 401.677 4.704 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OC 59116821 WBXGPFVMFHSELI-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 101730735 FAYCNINNJVYAGM-RIYZIHGNSA-N 405.406 4.801 50 40 HJGB O=C(N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 408951769 UZIVGSKLGSOFDW-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1 409022661 OCLQNXDFCCXHGA-MYKKPKGFSA-N 414.248 4.654 50 40 HJGB COc1ccc2cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(C)cc3)c(Cl)nc2c1 409116690 LKSRFLSZTYRGBV-CHOFVFFHSA-N 413.930 4.836 50 40 HJGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(N)=O 98086498 BPCHLQJEJVGIQD-LICLKQGHSA-N 407.267 4.574 50 40 HJGB CC(C)c1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C(C)C)c1O 408849793 ZCIMJCBGHPDLGJ-SSDVNMTOSA-N 415.515 4.790 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2cccc3ccccc23)cc1 408892423 ZIAGXZFUFUGLMU-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 409148590 QQTOISIYRQHMAO-JOCHJYFZSA-N 419.912 4.649 50 40 HJGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1COc1ccc(F)cc1 5408940 OZXYJFHEJVXWPG-QFIPXVFZSA-N 418.472 4.580 50 40 HJGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1C 408599387 UAANFMOILVQPPV-FSJBWODESA-N 410.861 4.728 50 40 HJGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)sc(N)c1C#N 408723778 LKAHQMUKVAPNHF-OPEKNORGSA-N 424.913 4.507 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 408795958 NSEHDWFYTDYXEQ-KGENOOAVSA-N 412.445 4.818 50 40 HJGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cc2cccc(OC)c2)c1C 408848801 UNDRMKQADPYNHE-QQXSKIMKSA-N 403.526 4.666 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccccc1 408882274 QOQLISNMCHAGNY-XSFVSMFZSA-N 412.445 4.769 50 40 HJGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc(Cl)c1 409011352 HHMLLQIDHVKYTC-CIAFOILYSA-N 402.679 4.657 50 40 HJGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OC 409372408 MWASHUIGAOSARV-GDNBJRDFSA-N 405.235 4.763 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1 781415 QNCPUDGMRRDCCQ-DEDYPNTBSA-N 418.518 4.949 50 40 HJGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1 987221 DHNOHCFZEDZILX-QGZVFWFLSA-N 421.298 4.620 50 40 HJGB CC(C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 33334255 UKIQEWVUCYFKSE-NHDPSOOVSA-N 401.260 4.746 50 40 HJGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1 59445091 MOZATROQUNKIRG-DHRITJCHSA-N 412.848 4.587 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ccccc13)[C@H](Br)C2=O 100868182 NEVYBORRHNCPOB-MAODMQOUSA-N 400.316 4.937 50 40 HJGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408812940 XQUHPSCOTLLXOV-XDJHFCHBSA-N 414.461 4.961 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c1 408882241 OCQNFIAPEDVBNX-SFQUDFHCSA-N 415.405 4.941 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1C#N 409191235 DYMSSSNORMUMGK-BKUYFWCQSA-N 415.493 4.502 50 40 HJGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)cc(Br)c1O)c1ccccc1 409242693 SHRBYYPISLJMBQ-ODYDIQAQSA-N 405.679 4.592 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 853166 YFXMZSNHSDOJRI-AFUMVMLFSA-N 421.566 4.795 50 40 HJGB Cc1cccc(OCC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)c1 4544286 TWPLUBBMIGCMKR-QFEZKATASA-N 408.885 4.757 50 40 HJGB N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 5007573 BQZPRZHLADYSGE-WQLSENKSSA-N 410.386 4.563 50 40 HJGB O=C(N/N=C/c1c(O)ccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 5648610 VFXNOYJAXYUYAJ-CVKSISIWSA-N 421.928 4.561 50 40 HJGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 59166065 CQWXJOMCDXZXIP-NSMHLIOHSA-N 409.467 4.627 50 40 HJGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cc2cc(Br)ccc2o1 83311246 SSCMAWHCMBEJRF-UWVJOHFNSA-N 422.622 4.521 50 40 HJGB Cc1cc(N2CCCC2)ccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 209665553 TYXXGJUWJNZVQF-QGOAFFKASA-N 416.550 4.953 50 40 HJGB COc1ccc(C(=S)N2CCC(C)CC2)cc1OC(=O)/C(C#N)=C/c1ccccc1 408755095 YLPLLZJJHKDXRH-XSFVSMFZSA-N 420.534 4.615 50 40 HJGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCCC 409075329 QWTBITUZSTXPMJ-PXLXIMEGSA-N 404.510 4.826 50 40 HJGB CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1 1857795152 PLMGVQHFPQCELA-QDPGVEIFSA-N 409.535 4.912 50 40 HJGB O=P1(CCc2ccc(Cl)cc2)C[C@H](Br)[C@@H](Br)C1 1560240 HSLOFKFMYMCCLI-RYUDHWBXSA-N 400.478 4.786 50 40 HJGB Clc1ccc(C2OC[C@H](Br)[C@H](Br)CO2)c(Cl)c1 3047693 HGAWYKFXGMWDSI-SLHIUPAKSA-N 404.913 4.566 50 40 HJGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1COc2ccccc2O1 13584068 PKQDPALVYGUQAV-FGKSSUIQSA-N 417.248 4.544 50 40 HJGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1C 97674564 PIFANHYIPYACEW-RCCKNPSSSA-N 416.525 4.969 50 40 HJGB O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cccc(C(F)(F)F)c1 408966305 ZLYWOKYIMBDOFD-QPSGOUHRSA-N 421.600 4.591 50 40 HJGB CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1F 664348 BBNQNZJLCDBRRT-LJQANCHMSA-N 416.294 4.653 50 40 HJGB CC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3275263 QAAUNDDZKDZESG-ZVHZXABRSA-N 414.490 4.686 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 4994419 HJIRNCYQOYCGNM-OAQYLSRUSA-N 406.869 4.734 50 40 HJGB Cc1noc2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)N2c1ccc([N+](=O)[O-])cc1 5798686 DSVLEFJAYNUWBQ-GOSISDBHSA-N 407.817 4.522 50 40 HJGB CC1=C(C#N)[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1 25479799 BORIAUORYTZVII-QFIPXVFZSA-N 420.513 4.713 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408743817 VNALUJBCGGOOOL-WQRHYEAKSA-N 419.868 4.991 50 40 HJGB COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1c(C)ccc2ccccc12 408867813 NYORNOFSORFTCX-RQZCQDPDSA-N 406.869 4.782 50 40 HJGB O=C(c1cc(OC(F)(F)F)ccc1Cl)[C@H](Br)CBr 575361622 ZFXKNGZXWMAWJI-SSDOTTSWSA-N 410.411 4.580 50 40 HJGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc(C(=O)O)cc1 6471780 DOGVUOYYRUOYNJ-NDENLUEZSA-N 400.390 4.936 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCCC)cc1 20197844 XPNCEKGSTKCVNP-HYARGMPZSA-N 419.319 4.791 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1 20197929 ZIDGMXCXMNTAKY-YDZHTSKRSA-N 404.894 4.689 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OCC 59473228 DMGIEDRAHDGLQW-OEAKJJBVSA-N 400.544 4.566 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 408535574 YYDGZXDSRZXNDI-VULFUBBASA-N 407.901 4.790 50 40 HJGB COc1ccc(C(=O)N/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 409084862 XRXGVPDKNIMFQN-YSMPRRRNSA-N 404.510 4.633 50 40 HJGB Cc1ccc(C(=O)c2ccccc2C(=O)NNC(=O)c2ccc3ccccc3c2)cc1C 1630582119 DAWFEQFCMQKOJZ-UHFFFAOYSA-N 422.484 4.762 50 40 HJGB O=P1(CCc2ccc(Cl)cc2)C[C@H](Br)[C@H](Br)C1 1560238 HSLOFKFMYMCCLI-GTKHYJCHSA-N 400.478 4.786 50 40 HJGB CCCCC/C(CCCCCCC/C(CCCCC)=N\NC(N)=O)=N/NC(N)=O 4812133 HXBPRZDLENABBF-GJEUYDLNSA-N 410.607 4.926 50 40 HJGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O 4827553 JSOYKFWFSULLFU-ODCIPOBUSA-N 401.677 4.823 50 40 HJGB Cc1cc(Br)cc2sc(NC(=O)[C@@H](Br)C(C)C)nc12 20133281 ASZTWDNXWDEYMH-JTQLQIEISA-N 406.143 4.725 50 40 HJGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 215986913 OYIJQYWKKATXLR-DHDCSXOGSA-N 415.276 4.868 50 40 HJGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408818590 XJZWVMFYXFATAZ-HESIGYJKSA-N 419.481 4.776 50 40 HJGB C[C@H](C(=O)NN=C1CCCCCCCCCCC1)N(c1ccccc1)S(C)(=O)=O 408923654 ZGVJCJWRTBQZHE-LJQANCHMSA-N 421.607 4.618 50 40 HJGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc([N+](=O)[O-])cc1 409072145 LVPBGIZPYFOJLX-DEDYPNTBSA-N 400.390 4.936 50 40 HJGB O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1cccc2ccccc12 409381531 HSEMVVVJUBJACQ-OGLMXYFKSA-N 409.489 4.981 50 40 HJGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1ccc2ncccc2c1 12528164 YGYQEGRMLUXIFS-NUGSKGIGSA-N 408.672 4.724 50 40 HJGB CCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1 20764287 FEUNXEWCKFTJLF-MFKUBSTISA-N 414.465 4.603 50 40 HJGB COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl 207319610 DQNPTUDEGFZNTB-NVNXTCNLSA-N 414.292 4.749 50 40 HJGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408889293 BMSXPWDVAACRSH-XNTDXEJSSA-N 418.365 4.617 50 40 HJGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Cl)nn1-c1ccccc1 408895716 VOLVANVXUNYEMU-LSHDLFTRSA-N 407.688 4.905 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409361748 QXKQHLZYIIEKBA-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)cc2)cc1 409364131 NDWQVZGNKUSBFX-VULFUBBASA-N 407.901 4.790 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1Br 3081903 PMDXAATVJAGEKJ-OEAKJJBVSA-N 409.283 4.792 50 40 HJGB COc1ccc([C@]2(C(F)(F)F)NC(=O)N3C(=C2C#N)Sc2ccccc23)cc1 3277608 SWDFLQSVMLIYPB-SFHVURJKSA-N 403.385 4.523 50 40 HJGB Cc1sc2nc3n(c(=O)c2c1C)C[C@H](Br)[C@H](c1ccccc1)S3 4942576 ABHBMVXRHLIQBV-JSGCOSHPSA-N 407.358 4.685 50 40 HJGB COc1cc(OC)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408567440 NIQOIABSFYKWJR-WZUFQYTHSA-N 402.223 4.546 50 40 HJGB C#CCOc1ccc(Br)cc1/C=C(\C#N)Sc1nc2ccccc2[nH]1 408598682 IINMNCYOTZQUFO-RVDMUPIBSA-N 410.296 4.994 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1C#N 408740347 FROMOWDNEGTZEW-VULFUBBASA-N 419.868 4.563 50 40 HJGB Cc1cc2c(c(=O)o1)[C@H](c1cccc(COc3ccccc3Cl)c1)C(C#N)=C(N)C2 1073893 LXMCOIZLEQDYEI-JOCHJYFZSA-N 418.880 4.605 50 40 HJGB Cc1cccc(NCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1 1814182 WDDUTYGOKYNIET-LQKURTRISA-N 410.521 4.869 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 3112688 GLYIAEBYGWAUDS-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccccc1 6223141 LCQCRBOSFUSBRN-JWGURIENSA-N 404.473 4.763 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1 408782339 FXDDWXXPRFYGMW-WKIKZPBSSA-N 417.406 4.945 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1 408812755 TVMMXWXITFRCLD-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 408830486 RZMWSYRADFIPMZ-ZMOGYAJESA-N 423.856 4.900 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 867542 DHZKQYDHGWKKQA-YRNVUSSQSA-N 424.067 4.896 50 40 HJGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2134892 KNVQDAISRMWKEC-UHFFFAOYSA-N 423.340 4.911 50 40 HJGB COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1 4741425 HFJQZGVHCYMGDO-BTYIYWSLSA-N 406.869 4.557 50 40 HJGB C[C@@H]1S/C(=N/NC(=O)c2ccc(Cl)cc2)N(c2cccc3ccccc23)C1=O 12708482 SIZSBFNGXSLUNA-CNQLEVMFSA-N 409.898 4.663 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1C1CCCCC1 59332848 VVYATDYBHOHTDS-NKFKGCMQSA-N 416.569 4.866 50 40 HJGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c1 408760726 DXJIOBSSUBRCAR-HMMYKYKNSA-N 412.445 4.850 50 40 HJGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408791691 AYVZPAVFWWZOSJ-RIYZIHGNSA-N 415.833 4.591 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 408886646 KZFFXQZOBIDKGC-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)c1C 409192624 FOZFXCFRHCLGSV-DHRITJCHSA-N 423.900 4.606 50 40 HJGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1 1102897 CUMWTXWRKJGMJQ-HMMYKYKNSA-N 411.461 4.558 50 40 HJGB CCOC(=O)/C(C#N)=C/C=C1\C=CN(CC(=O)c2ccc(Cl)cc2)c2ccccc21 2323093 RZXUWJZMBRGGLH-SSYYJUDVSA-N 418.880 4.953 50 40 HJGB N#CC1=C(N)NC(SCc2ccc(Br)cc2)=C(C#N)C12CCCCC2 4396724 AHWXPMSTZOIWOT-UHFFFAOYSA-N 415.360 4.665 50 40 HJGB aggregator CCC/C(=N\NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)c1ccccc1 4837414 TVLBRJQJFAEREQ-SOYKGTTHSA-N 400.522 4.860 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 6052061 VJUPUIXASRZERX-UHFFFAOYSA-N 411.380 4.568 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccc(N2CCCC2)cc1 7385666 HCLOGKVELFVGKB-WPWMEQJKSA-N 417.484 4.769 50 40 HJGB N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 9263068 WMBQPMVZVMDQDD-XYOKQWHBSA-N 414.248 4.578 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1 20132203 UXCXEUOCBRFOQI-QMMMGPOBSA-N 406.143 4.788 50 40 HJGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)c1 59418967 SUMDNAXZZBLFJO-LSHDLFTRSA-N 403.221 4.716 50 40 HJGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1C 408913964 WKJAWIYXVMXLFL-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB CC[C@H](C)n1c(C)c(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c2cccc(C)c21 409029956 DMDZMKPFBYRJII-VJUVOTIISA-N 423.586 4.878 50 40 HJGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1 5883889 DDKLHNJTUPELKY-SFHVURJKSA-N 406.873 4.737 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1 6627511 ZVUJDSJXMSQPTL-WSDLNYQXSA-N 416.886 4.865 50 40 HJGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](Br)C(=O)[C@@]4(C)CC[C@H]32)C1 12653186 VJGLIYQCQCELBZ-QSMCSLCTSA-N 411.380 4.903 50 40 HJGB biogenic CC(/C=N/NC(=O)c1cc(I)ccc1Cl)=C\c1ccccc1 16136543 ZWRVHYYDAMXXKJ-CVKVKLAESA-N 424.669 4.764 50 40 HJGB COc1cccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)c1 16742536 XSFLWVRAGSVUAK-XMHGGMMESA-N 408.461 4.864 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1cc(Cl)ccc1Cl 96398809 YPCWQIPETGURPM-VUZIPCMWSA-N 418.324 4.603 50 40 HJGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)[C@@H](Br)C2=O 102872451 VBZCTPJZVASQHJ-ZLIFDBKOSA-N 418.253 4.803 50 40 HJGB O=C(COc1ccccc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 408529775 JYJISUJWDAPIOC-VULFUBBASA-N 417.896 4.872 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)o1 408803254 MZFOZQMITFTFCW-HZGBGQKMSA-N 401.422 4.948 50 40 HJGB CCOc1c(I)cc(/C=C(\C#N)c2cccc(F)c2)cc1OC 409394322 YRSWCHFHTHZZIM-VGOFMYFVSA-N 423.225 4.902 50 40 HJGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 853937 USEZJKRDHSQWPR-WYZSWBMLSA-N 417.534 4.960 50 40 HJGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Br)o1 4071332 MTPXYLUJLHOUGK-CYGNYLSHSA-N 413.271 4.627 50 40 HJGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)cc1 8973087 WLGANQBTZOPCTA-LJQANCHMSA-N 405.523 4.521 50 40 HJGB CC[C@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1 20132451 CQVPLYQLSKPKCA-LBPRGKRZSA-N 415.353 4.602 50 40 HJGB CCSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1 22062922 UUQGGDQYGKCXRF-HXUWFJFHSA-N 409.511 4.684 50 40 HJGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)c1 408818203 YEBCZXLMRWDLGS-WJDWOHSUSA-N 404.397 4.726 50 40 HJGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Cl 409309596 JODCPBKWMMXNPO-IWIPYMOSSA-N 416.905 4.856 50 40 HJGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F 409368755 KWGJWHLANXPGLQ-NRFANRHFSA-N 423.488 4.981 50 40 HJGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1O 1084375166 KWEFBWGEYUQGFV-UHFFFAOYSA-N 412.452 4.927 50 40 HJGB O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 825923 JUIAONLVAAKGFE-CABCVRRESA-N 415.081 4.873 50 40 HJGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1cccc(Br)c1 3015609 CBYSKWBRPGKIDS-WSDLNYQXSA-N 403.320 4.584 50 40 HJGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 45440144 UKBRPBFWJBKYIS-VXNVDRBHSA-N 404.742 4.501 50 40 HJGB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)/C(C#N)=C/c1ccccc1 408753278 NLOGIJGSGMBYFB-HMMYKYKNSA-N 420.534 4.759 50 40 HJGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)[C@@H](O)c1ccccc1 409247377 BWCIZFFRLAGLFE-YYYGAUAXSA-N 410.473 4.603 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 16488839 BADXRWNGVKYTLK-JTDSTZFVSA-N 418.806 4.528 50 40 HJGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OCc1ccccc1 58840220 QNYICJWHNAQQKQ-ZVHZXABRSA-N 417.490 4.649 50 40 HJGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)[C@@H]2Br 100848763 DLRVFCBBSLTBCI-DAXOMENPSA-N 401.142 4.977 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1 408772864 SCNOSHQUJQXXJH-ATVHPVEESA-N 400.394 4.636 50 40 HJGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408803197 MHJLJTSWERZMEK-RVDMUPIBSA-N 413.271 4.568 50 40 HJGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1 35183004 BADXRWNGVKYTLK-GJYPPUQNSA-N 418.806 4.528 50 40 HJGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C#N)cc3)cc2)cc1 948759 LOUUBGVZSQLLIV-KGENOOAVSA-N 407.429 4.632 50 40 HJGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(\C)c1ccc(Br)cc1 15931125 MOQAKKMXXUEHLT-ORWNMUSCSA-N 408.727 4.833 50 40 HJGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccccc1F 408814133 QFTUJNSAKMFLRT-LCYFTJDESA-N 410.788 4.983 50 40 HJGB Cc1ccc(Sc2ccc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2)cc1 409230180 CEUVSBSNXIINFY-YDZHTSKRSA-N 422.579 4.795 50 40 HJGB Cc1ccc(-c2cc(C(=O)NNC(=O)NC3CCCCC3)c3ccccc3n2)c(C)c1 2763004 KFUWKWMJPVFQTD-UHFFFAOYSA-N 416.525 4.795 50 40 HJGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1OC 5713638 DMIXLIDLYWXRNF-OQLLNIDSSA-N 400.862 4.610 50 40 HJGB CC/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1cc(F)ccc1O 57772688 OSBFIXNLTJSUMG-XQNSMLJCSA-N 413.276 4.928 50 40 HJGB Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408943721 LWKBJGHAXUNVCU-MSXFZWOLSA-N 424.888 4.910 50 40 HJGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1 2727053 RBWKVKBKANFBLS-MUPHDSPYSA-N 419.912 4.545 50 40 HJGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1C(C)C 9204932 AXLIDHXQAZVFLR-YDZHTSKRSA-N 412.331 4.986 50 40 HJGB CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1O 59473369 SGJRLFGTWNSHIC-BUVRLJJBSA-N 406.507 4.847 50 40 HJGB CC(C)Oc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3Cl)c21 8382627 WSWMQVWWMLPKMO-SFHVURJKSA-N 406.873 4.735 50 40 HJGB O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 16524114 VIVBSRBNDNUYLI-UHFFFAOYSA-N 421.909 4.719 50 40 HJGB N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 33616163 YWUSKJKLLUQJLG-MDWZMJQESA-N 412.312 4.807 50 40 HJGB Cc1ccc([C@H](NC(=O)NNC(=O)c2oc3ccccc3c2C)c2cccs2)cc1 58004726 LOSLSZLTDYJGTP-FQEVSTJZSA-N 419.506 4.845 50 40 HJGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409213042 RZTKNGYAJGZMEM-MLPAPPSSSA-N 407.209 4.518 50 40 HJGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OC 409322625 LACSKMSXYRPRJH-QFEZKATASA-N 424.884 4.700 50 40 HJGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(C)cc1 804775 KJOQDGLMNALKCX-XMMPIXPASA-N 414.461 4.506 50 40 HJGB N#C/C(=C/c1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1 33721253 ZVLJIVGLMKHGQG-KBNZVFGVSA-N 418.456 4.778 50 40 HJGB CN(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 409070571 ZQLDUHFKONEJHB-MFKUBSTISA-N 407.901 4.749 50 40 HJGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc2c(c1)OCO2 409360745 FSYXGQXPDINHAT-JYOAFUTRSA-N 423.060 4.710 50 40 HJGB O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccncc1 9905943 VPOGCLKMKZIWMQ-OBMCKAMCSA-N 424.258 4.729 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(Cl)cc1 16488852 BADXRWNGVKYTLK-FRQCXROJSA-N 418.806 4.528 50 40 HJGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1 17093713 XDHBLICFCVMESD-KGENOOAVSA-N 423.877 4.898 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1 408720124 STZYXPGUUOZLIR-CIAFOILYSA-N 421.360 4.621 50 40 HJGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408754743 HWVFARIRZKCRHP-GDNBJRDFSA-N 413.271 4.568 50 40 HJGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC#N)c(Br)c2)c1 408795653 MBCWVEDCMOLSFK-MHWRWJLKSA-N 410.271 4.514 50 40 HJGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccccc1 409065790 UEMQHHHESZZFKX-RPPGKUMJSA-N 420.831 4.979 50 40 HJGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nc2ccccc21 946795 NXFFJSNAJQPQKU-FSJBWODESA-N 421.353 4.996 50 40 HJGB COc1ccc(N(C(=O)CCCl)[C@H](C#N)c2ccc(Br)cc2)cc1 2191111 KDKGIAHPQYETQV-QGZVFWFLSA-N 407.695 4.684 50 40 HJGB O=C(NN=C1CCCCC1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 5944679 OWWQFFQFYGKXMK-UHFFFAOYSA-N 414.303 4.751 50 40 HJGB C=CCn1c(-c2ccc(C)cc2)cs/c1=N\NC(=O)C12CC3CC(CC(C3)C1)C2 33632124 FZISEQJMGLAXRU-RWEWTDSWSA-N 407.583 4.859 50 40 HJGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C 408589682 MTLKGKPBLKHTTP-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc3c(c2)OCO3)cc1 408855497 DPYCAVOWAREPDV-YUMHPJSZSA-N 423.472 4.945 50 40 HJGB O=c1c(-c2ccc(Br)cc2)coc2cc(OCCBr)ccc12 11866409 UARAYGURSJVPEG-UHFFFAOYSA-N 424.088 4.996 50 40 HJGB biogenic O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 58871296 GCVFXTHSCYIJKO-SRZZPIQSSA-N 415.858 4.751 50 40 HJGB Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(Cl)cc1 647997 GTJNQYAIPNFPQR-NRFANRHFSA-N 420.900 4.786 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2cccc(C)c2)c(OC)c1 4512516 STIIZZXXXSJXOC-GZTJUZNOSA-N 415.873 4.585 50 40 HJGB COC(=O)N/N=C/c1cc(Cl)c(OCCCOc2ccc(C)cc2C)c(OC)c1 4590996 GBIFAQTWVTUIJB-YDZHTSKRSA-N 420.893 4.503 50 40 HJGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 4953703 ASGAPBIAMBOJPZ-YRNVUSSQSA-N 406.623 4.556 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1O 408807958 PJIMVDCXPNDXII-WUXMJOGZSA-N 421.678 4.671 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccc(Cl)cc1 4177291 JTTVXEDVBZTYSM-JOCHJYFZSA-N 404.853 4.843 50 40 HJGB CC[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C(/C)c1ccc(Br)cc1 6489480 MOQAKKMXXUEHLT-MTEVNVADSA-N 408.727 4.833 50 40 HJGB O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(Cl)cc1Cl 8780874 YYIGQRMWYDMJNC-KPSZGOFPSA-N 422.493 4.879 50 40 HJGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 26842331 LWCDBVHAFADYKK-SAPNQHFASA-N 419.444 4.736 50 40 HJGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OC 408599264 REVMUYTVFADUFS-KPKJPENVSA-N 416.300 4.999 50 40 HJGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408872037 JIPLHFYLRQJCPZ-WLRTZDKTSA-N 405.679 4.965 50 40 HJGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)cc2)cc1 3325668 YONAWHRFHCACKW-ZVHZXABRSA-N 421.453 4.828 50 40 HJGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 5336779 XVTGJEWNPDCMIH-WYMPLXKRSA-N 416.308 4.930 50 40 HJGB CCOC(=O)/C(C#N)=C\c1[nH]c2ccccc2c1[C@@H](C(=O)CCl)c1ccccc1 5428261 HEGHNNOMTYMKDC-MJGOQDMVSA-N 406.869 4.578 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(F)cc1 18173747 BYNWXBUFSMDOQQ-WOJGMQOQSA-N 422.481 4.698 50 40 HJGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1CC(C)C 19901093 SHZBBXZYECJLGS-QGZVFWFLSA-N 416.518 4.579 50 40 HJGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)o1 32194038 MEVNOWAPNZJSKY-MYKKPKGFSA-N 417.343 4.946 50 40 HJGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)ccc1Cl 408725251 KFTSWPSFONXYJM-RSSIECNGSA-N 414.889 4.663 50 40 HJGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1C 408935639 GGJHEVVZHKABSI-JVWAILMASA-N 424.504 4.645 50 40 HJGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 409072175 IYBCYKQJRBMYPR-HMMYKYKNSA-N 418.493 4.933 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 409363078 JICAHRANWPTPJQ-STBIYBPSSA-N 420.516 4.816 50 40 HJGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1831087 AKFDROQTDVGTNA-RVDMUPIBSA-N 416.418 4.801 50 40 HJGB COc1ccc(Cl)cc1/C=N/NC(=O)CCCOc1ccc(Cl)cc1Cl 2177561 AKTRHXZZIWQTGM-SSDVNMTOSA-N 415.704 4.965 50 40 HJGB N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 2657744 ZMAQNIOLYIHBEN-NKFKGCMQSA-N 409.489 4.736 50 40 HJGB CN1/C(=C\C=N\NC(=O)CNc2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21 4866900 RQGFSRDYDLSLRO-CRYXXPQASA-N 416.447 4.531 50 40 HJGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1 4922796 JMLCFBDTVIFLRJ-LJQANCHMSA-N 405.523 4.613 50 40 HJGB N#C/C(=C/c1cc(Br)c(I)o1)c1ccc(F)cc1 9262215 RKFHGJJPZAFUGQ-UITAMQMPSA-N 418.003 4.850 50 40 HJGB CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C(\C#N)C(=O)OC(C)C)cs1 96793785 JLDHSQTVGIEGQK-WOJGMQOQSA-N 411.527 4.811 50 40 HJGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 100229199 QMDZGLQDSFSNRZ-OSQWRYNZSA-N 410.521 4.838 50 40 HJGB N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100601026 WPVPXJVQFVDRCH-FMIVXFBMSA-N 411.374 4.742 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 685655 ZNZWQOCKQAPVBZ-MFKUBSTISA-N 420.534 4.658 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 6414609 YOQISUXQHUFCLO-UNOMPAQXSA-N 416.408 4.649 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc12 6454058 BRHSWVBQSHYFFD-WSDLNYQXSA-N 405.435 4.735 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 8812269 RCVWMMKCDQNYQF-VULFUBBASA-N 421.472 4.562 50 40 HJGB COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 103736968 PQNFBZAWFPQUOT-OYKKKHCWSA-N 415.405 4.781 50 40 HJGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc2cc([N+](=O)[O-])ccc2s1 106190383 HQJHTMFWVPLQIM-FBCYGCLPSA-N 410.238 4.586 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)c1C 409228276 WQQCXWSLBKTHGC-FJSNCCPHSA-N 414.461 4.826 50 40 HJGB C=CCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3089655 ICVQPTRQBPZOLL-OVVQPSECSA-N 422.488 4.868 50 40 HJGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 4177296 JTTVXEDVBZTYSM-QFIPXVFZSA-N 404.853 4.843 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)OCC)c3)o2)cc1 20197429 PYGSRAVWCMARJJ-PCLIKHOPSA-N 420.465 4.676 50 40 HJGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccccc2)cc1 20243972 LJIOCNLOVBVVSP-OEAKJJBVSA-N 421.478 4.771 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c(C)c1 408846260 IAQHLEAZSJEFOI-WDZFZDKYSA-N 424.092 4.967 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1 409143192 ZNKAXTQHBIBGHH-NRFANRHFSA-N 424.859 4.873 50 40 HJGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc([N+](=O)[O-])c1 409248421 KFFODWWINVZUGC-QFEZKATASA-N 416.412 4.501 50 40 HJGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1 409322085 WHLVKMMAFPGXIG-HNNXBMFYSA-N 402.878 4.630 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl 704177 UXCJZWXHEWSOBS-INIZCTEOSA-N 415.276 4.775 50 40 HJGB COc1cc(-c2nnc(SCCCl)n2C2CCCCC2)cc(OC)c1OC 1581246 ONNYDHJDYMNSPG-UHFFFAOYSA-N 411.955 4.807 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)c1 2161617 XEAMKNNLPFWBLA-FOKLQQMPSA-N 417.248 4.804 50 40 HJGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCCc1ccccc1 13424455 HYJAWDMQBYRSQZ-SFQUDFHCSA-N 420.852 4.564 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC 33362189 WYUZPLZZIBGGDA-GHXNOFRVSA-N 407.253 4.565 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(I)cc1 408787490 AVZDXUFNLRWEGK-MDWZMJQESA-N 422.653 4.799 50 40 HJGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)o1 408792810 CHURGRIFLGQJTL-RVDMUPIBSA-N 403.394 4.718 50 40 HJGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c(OC)cc1Cl 408833382 JRDXQPAGEDAWNN-OQLLNIDSSA-N 400.862 4.690 50 40 HJGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC 409070188 DUHXDMXRAJXBRJ-KGENOOAVSA-N 400.478 4.598 50 40 HJGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 409183936 GHSUPKHBSKQAEB-WGOQTCKBSA-N 421.884 4.512 50 40 HJGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)ccc1OC 409314556 LDMLEYMJFKWXSY-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 1189471 JDRUIHOJTZBWRK-RGEXLXHISA-N 401.466 4.657 50 40 HJGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1 6209888 YYNKNIFUEDIMLI-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1cccc2ccccc12 20029485 YWBYDNKDUSJGHK-HXUWFJFHSA-N 401.491 4.648 50 40 HJGB CCOc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Cl)c1O 30840606 GQWUIQORHLGVLD-QFEZKATASA-N 424.884 4.640 50 40 HJGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)o2)cc1 58915788 VULBQAAWWAWBRU-WTJYETQFSA-N 422.506 4.754 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 59410768 PUSNAILDKKMQIC-MFKUBSTISA-N 408.885 4.620 50 40 HJGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)[C@H]1CC1(c1ccccc1)c1ccccc1 1021126 JOZKKKSLDMLEHK-YMSFFTPVSA-N 418.880 4.525 50 40 HJGB O=C(CBr)c1ccc(-c2ccc(I)cc2)cc1 4776288 NDMWDIXVWSCCTR-UHFFFAOYSA-N 401.041 4.536 50 40 HJGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O 6252539 OESYEROGYBGQHR-WYMPLXKRSA-N 415.276 4.895 50 40 HJGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccccc1Cl 16488893 OKEJJXGUBOTQNI-JTDSTZFVSA-N 418.806 4.528 50 40 HJGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 59517286 MOZCTCDCOOMEEO-RGVLZGJSSA-N 401.831 4.756 50 40 HJGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccnc1 408789038 ILVLDEBETKEASC-BOPFTXTBSA-N 421.298 4.797 50 40 HJGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(O)cc1 409377766 KNSZRXLDIAPMNI-KAMYIIQDSA-N 409.239 4.960 50 40 HJGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 409392888 SVUMMLDKUYTZGB-WPWMEQJKSA-N 424.456 4.927 50 40 HJGB O=C(COc1cccc2ccccc12)N/N=C/c1c[nH]c2ccc(Br)cc12 2751853 PKGIEFATHAUGLG-WYMPLXKRSA-N 422.282 4.613 50 40 HJGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C 5898284 NJBSNLHVXCGCGF-MZJWZYIUSA-N 402.542 4.890 50 40 HJGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)nc2c1 18198539 IXQADKZIMPDCKI-YBEGLDIGSA-N 413.389 4.592 50 40 HJGB CCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347521 KUUAWTFDIGQAAS-HXUWFJFHSA-N 409.511 4.766 50 40 HJGB CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 32522834 DHXZZFSTTFBRJO-HZHRSRAPSA-N 410.543 4.764 50 40 HJGB O=C(N/N=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 33337601 ZEOBXZJRYHDACH-OYKKKHCWSA-N 415.405 4.684 50 40 HJGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 59117162 HJPLYNZTLDHOTR-NTEUORMPSA-N 403.251 4.921 50 40 HJGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 59473477 VIFGDEKRTNVKPR-MFKUBSTISA-N 420.534 4.658 50 40 HJGB COc1ccc(/C=N\NC(=O)c2ccco2)cc1COc1cc(C)c(Cl)c(C)c1 100292363 DLELMEWMYDOIDL-MSXFZWOLSA-N 412.873 4.901 50 40 HJGB COc1ccc(/C=N/NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100490122 WMXKTKDLMOPUEM-LSHJOTCSSA-N 402.538 4.992 50 40 HJGB COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728778 TZKNVGPTOSNLTI-MXAYSNPKSA-N 405.885 4.633 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1cccc(F)c1 408866890 JWPRMZIPWXFQQE-XDHOZWIPSA-N 402.425 4.676 50 40 HJGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 408913957 VLACDVQOVMYZSP-BUVRLJJBSA-N 421.453 4.645 50 40 HJGB O=[N+]([O-])c1ccc(SC[C@@H](Cl)CSc2nc(O)c3ccccc3n2)cc1 719700 AQAIYBAYMSELKB-LLVKDONJSA-N 407.904 4.735 50 40 HJGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc(OC)c2)cs1 2205901 OKJPZKUAFHRNII-DTQAZKPQSA-N 405.479 4.972 50 40 HJGB N#C/C(=C\c1ccccc1C(=O)O)c1nc(-c2cc3ccccc3oc2=O)cs1 4557465 XJXISEVFMYRECH-OQLLNIDSSA-N 400.415 4.679 50 40 HJGB N#CC1=C2SC[C@@](O)(c3ccc(Cl)cc3)N2C(=O)C[C@@H]1c1cccc(Cl)c1 12276152 FVOPLCVDGOADKO-OXQOHEQNSA-N 417.317 4.637 50 40 HJGB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Br)CS1 36625075 RUKCUTKHFJNCQW-TZMCWYRMSA-N 407.358 4.533 50 40 HJGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(C)c3)o2)ccc1Cl 409201223 KQQVWABHKRNJIF-ZMOGYAJESA-N 410.857 4.849 50 40 HJGB CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1 985616 FPCBUGNQEKZKHI-OAQYLSRUSA-N 407.477 4.514 50 40 HJGB Cc1ccc(COc2ccc(/C=N\NC(=O)CSCc3ccccc3)cc2)cc1 36020263 HZIAMCPGNCXVTK-MYYYXRDXSA-N 404.535 4.958 50 40 HJGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)c1 408746417 SONDYNSRFXSLQG-PTNGSMBKSA-N 406.825 4.932 50 40 HJGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1 1912817 LZRZJPKNPNXWLL-GHRIWEEISA-N 415.445 4.583 50 40 HJGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1 2205978 ZHWIYQGHKZOPMC-KRWDZBQOSA-N 411.914 4.568 50 40 HJGB CCCN(CCC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 4087712 RADJXHVSNNOKGQ-XQNSMLJCSA-N 416.363 4.768 50 40 HJGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(C)c3C)o2)cc1Cl 14010372 ZECBUSAMDREZFW-MSXFZWOLSA-N 412.873 4.755 50 40 HJGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 28217451 DHGIKPPBTMGWIE-FOKLQQMPSA-N 414.824 4.559 50 40 HJGB Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1[N+](=O)[O-] 2275922 WNJGFOPODRFAOD-HXUWFJFHSA-N 419.437 4.614 50 40 HJGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccccc1Cl 4292540 QJOGDXARTPWYFA-OAHLLOKOSA-N 416.790 4.763 50 40 HJGB biogenic COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)cc3)n2)cc1OC 5007568 OZWWPUGTDCUXQT-LICLKQGHSA-N 406.463 4.817 50 40 HJGB CN(C)c1oc(-c2ccccc2Cl)nc1P(=O)(c1ccccc1)c1ccccc1 8385790 WVBGVKOFTVPUES-UHFFFAOYSA-N 422.852 4.700 50 40 HJGB CCCCCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC 19851910 JRIAUUOFDOMHKZ-CVDCTZTESA-N 416.525 4.858 50 40 HJGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914845 GJQYVWAXQNRIIL-FSJBWODESA-N 422.312 4.543 50 40 HJGB CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1 408760545 ANNMTERWDTZVLN-UKTHLTGXSA-N 420.275 4.559 50 40 HJGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Cl)c1 408922949 HUQXKKUCZAMUSE-WOJGMQOQSA-N 419.868 4.991 50 40 HJGB O=C(NN=C1CCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408973666 NWGKWIMFYKUBKT-XMMPIXPASA-N 421.566 4.553 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccccc1 409189362 KBFMKTYTGROOJL-JCMHNJIXSA-N 416.521 4.968 50 40 HJGB CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 409365649 VMFIGSBYDVOLOK-ZMOGYAJESA-N 410.857 4.553 50 40 HJGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccccc1 409382693 NSCVVPKFCJDKOX-HMAPJEAMSA-N 415.493 4.760 50 40 HJGB Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)c(Cl)c1 4827443 BVFHOXIDSIRJEO-NVFPLGJGSA-N 408.841 4.624 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1OC 5739687 XEZXIEACWDRION-ZMOGYAJESA-N 411.889 4.529 50 40 HJGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1 6327944 CIBPSELAEAZIDH-YVLHZVERSA-N 400.272 4.844 50 40 HJGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C)c2)cc1 8372101 YSDIFIPNAUYJEA-QFEZKATASA-N 406.869 4.940 50 40 HJGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 9059222 HVFQACVXHGQGHH-GXDHUFHOSA-N 422.824 4.852 50 40 HJGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C\c1ccc(Br)o1 16322366 MTPXYLUJLHOUGK-BXSODOALSA-N 413.271 4.627 50 40 HJGB Cc1oc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1Br 59401599 RPQVMURIQINKIA-GIJQJNRQSA-N 401.713 4.636 50 40 HJGB CC1=C[C@H](C)[C@@H]([C@@H]2OCCN2CCP(=O)(c2ccccc2)c2ccccc2)[C@H](C)C1 102667932 JAPABBMFYHDZMU-VNRZQXBUSA-N 423.537 4.897 50 40 HJGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1O 408569185 ZJFNTHAODJUNGH-WZUFQYTHSA-N 402.223 4.633 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1 409190948 CHVDPPYFPSZHTJ-WQRHYEAKSA-N 410.901 4.893 50 40 HJGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 6966039 SMXVUNVEULLNNX-JVWAILMASA-N 411.505 4.699 50 40 HJGB Cc1cc(Cl)ccc1OCC(=O)N/N=C\C(Br)=C\c1ccccc1 57476843 NFWYUZACKIKDLV-QSEDZKMYSA-N 407.695 4.565 50 40 HJGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1 59500488 OZUKYVQSMCUQCV-QQXSKIMKSA-N 416.477 4.685 50 40 HJGB CC1(C)CC(=O)C(C#N)=C(Nc2cccc(NC=C3C(=O)c4ccccc4C3=O)c2)C1 101462827 PNGWHYTUJHTWQI-UHFFFAOYSA-N 411.461 4.640 50 40 HJGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)c1 408566194 FCHHALOUSBCJFV-WGOQTCKBSA-N 418.493 4.724 50 40 HJGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccnc1 409032492 JRJZFOYGQKQAAB-WYMPLXKRSA-N 400.265 4.731 50 40 HJGB O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 409190582 ZUJXQZNWUYASLU-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 409248547 LCGJLOUDTPOSPM-ROTLSHHCSA-N 401.844 4.719 50 40 HJGB COc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)c2ccccc2n1 871010 VUPVFUUNUMSARE-AFUMVMLFSA-N 415.518 4.947 50 40 HJGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)cc1 3146222 FJZCKUIHTWJEBS-OGLMXYFKSA-N 409.489 4.981 50 40 HJGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc1 10476031 LMSPJQRHIKDOHV-ZVHZXABRSA-N 418.921 4.617 50 40 HJGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(F)cc1 59334887 LGEJDUMNYJCDRF-MOSHPQCFSA-N 408.473 4.527 50 40 HJGB CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 4735471 IXIJUOSWSZZLTA-PXLXIMEGSA-N 402.336 4.839 50 40 HJGB COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1 4923426 CDCUTILGYCZOHG-FQEVSTJZSA-N 405.523 4.532 50 40 HJGB CC/C(=N\NC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccc(Cl)cc1Cl 5384943 XIZKQDVBPMROJI-PXLXIMEGSA-N 411.285 4.563 50 40 HJGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(F)c1 28630143 XOAMOFYQZNQLKP-WGARJPEWSA-N 418.424 4.923 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C)cc1Cl 408589893 NIIMRERAZGESML-ZMOGYAJESA-N 424.888 4.657 50 40 HJGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408780968 OVQNPBYMAQYCKU-JYRVWZFOSA-N 419.250 4.541 50 40 HJGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccccc1 408894052 IMWLPOGLKRQPMW-LDADJPATSA-N 410.389 4.804 50 40 HJGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)c1 409045296 GBTQWAPQSHJSAJ-XSFVSMFZSA-N 413.433 4.985 50 40 HJGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(F)c1 977445 QMPOEYKQHFXEOM-XODNFHPESA-N 414.415 4.603 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c(OCCC)c1 3174803 KCDKGOFQYLJEQG-WTJYETQFSA-N 418.921 4.835 50 40 HJGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 3615941 PBYLAIDDPIQNJB-OVCLIPMQSA-N 415.287 4.629 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(OC)c1OC 3616252 QFWYVAAYLPIJRG-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)cc1 4775456 KBLUUKYYNQOEJB-FBHDLOMBSA-N 404.209 4.926 50 40 HJGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 20197451 ZLTYVAXGGJTJDK-OEAKJJBVSA-N 407.426 4.716 50 40 HJGB C[C@]12CCC3(C[C@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@@H]12)OCCO3 119248720 PFXPFFMEZISHQC-VBXVDEENSA-N 411.380 4.715 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC#N 408789305 ITQYZXCAMVVLDV-NTEUORMPSA-N 416.264 4.840 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408794971 KTPHNBUBNOOXOU-GZTJUZNOSA-N 409.283 4.624 50 40 HJGB Cc1cccc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1C 408962231 XLPAJPHVTDWKEO-QFEZKATASA-N 417.465 4.736 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1 409258399 WWKFUPCAMRHTGQ-MFKUBSTISA-N 404.466 4.635 50 40 HJGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)c1ccccc1 5788384 OWKIGRIYOYDNNL-WUXMJOGZSA-N 407.061 4.707 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)c(Cl)c1 59417850 LUOGJFCDWIUOLA-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB c1ccc([PH](CCN2Cc3ccccc3C2)(c2ccccc2)c2ccccc2)cc1 104195275 QOYJBRMCUQEHHJ-UHFFFAOYSA-N 409.513 4.729 50 40 HJGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC 408726949 WILWFPFYLFHGDU-GDNBJRDFSA-N 413.271 4.568 50 40 HJGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)o1 409227512 PRVBUUZDVNWGTG-JJBLJPBOSA-N 400.434 4.738 50 40 HJGB CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1CC(C)C 999341 SHZBBXZYECJLGS-KRWDZBQOSA-N 416.518 4.579 50 40 HJGB O=C(Oc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1)c1cccs1 13371709 HMAGFZUILQWHTP-ZVHZXABRSA-N 416.458 4.590 50 40 HJGB Cc1cccc(OCC(=O)N/N=C\c2cc(Cc3ccccc3Cl)ccc2O)c1C 30843310 PPYKBHQVYLGDGV-WGARJPEWSA-N 422.912 4.782 50 40 HJGB Cc1cc(Cl)nc(NC(=O)NP(=O)(Nc2ccccc2)Nc2ccccc2)n1 104079403 KYLURPZNTIXJLZ-UHFFFAOYSA-N 416.809 4.892 50 40 HJGB N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Br)c3)C2)[C@H]1c1ccccc1 2323008 VRYSDWRFYZMGQX-YWZLYKJASA-N 421.294 4.658 50 40 HJGB CCCCCc1cc(C(=O)N/N=C\c2ccc(NC(C)=O)cc2)c2ccccc2n1 31772964 XMBMVMNYWZHQCY-XYGWBWBKSA-N 402.498 4.690 50 40 HJGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 33674597 YYLNEKCTSLRUCE-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)cc1 59427393 RLILBHNGJZCELN-AFUMVMLFSA-N 423.900 4.688 50 40 HJGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(Cl)c1 408723289 STFPPOFVNPNTDK-UFFVCSGVSA-N 404.209 4.926 50 40 HJGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(OC)cc3)c2C)cc1 409187844 UZSROUYLSAMSJJ-IWIPYMOSSA-N 406.486 4.657 50 40 HJGB CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 6073996 XKPVUKOSQFVFSP-YVLHZVERSA-N 414.442 4.906 50 40 HJGB Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2Cl)cc1 12525284 LQWZOFRVVSSBOR-NTCAYCPXSA-N 402.889 4.841 50 40 HJGB N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 408745575 STWKMXWACDXDEI-XFXZXTDPSA-N 406.077 4.757 50 40 HJGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408782463 HDSCVRWSPLPMNL-AQTBWJFISA-N 414.421 4.890 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)cc1 408876833 OFEYRDSOSZCJAI-KSEXSDGBSA-N 417.248 4.804 50 40 HJGB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N/N=C/c1cccc(Br)c1 3167077 MQZZTRBJKWGZGL-OOXYOOLHSA-N 403.320 4.799 50 40 HJGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1 6376492 UCQVUXJLJQJLJI-ZMOGYAJESA-N 410.857 4.929 50 40 HJGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 6813158 QQQGMMRLSKWBCO-SFHVURJKSA-N 408.914 4.882 50 40 HJGB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)C(C)C)c1 44027175 LDDWDJUNILFKQR-ATVHPVEESA-N 401.466 4.689 50 40 HJGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)cc1 408744156 JIYYJMQDVINNGV-JXAWBTAJSA-N 416.433 4.678 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccccc2)c1 408880129 DKZDBALOJJDKMU-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1OCC 409137356 WBYLSMGHOWKAHL-BDFKGGEMSA-N 400.544 4.813 50 40 HJGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1 409210418 JTDRNLRSFWNXQX-ZHZULCJRSA-N 413.477 4.900 50 40 HJGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 1084786 NKFZYKDEARPGEM-ZMOGYAJESA-N 421.453 4.816 50 40 HJGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 13687330 PBZADHBKKPDRGH-QRQIAZFYSA-N 423.472 4.981 50 40 HJGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc2ccccc2c1 408776557 POSPGGVXDIFASV-UUYOSTAYSA-N 400.478 4.859 50 40 HJGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)n2c1 408779025 PBOGFTAIWLFSNS-LGJNPRDNSA-N 413.525 4.739 50 40 HJGB N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccccc1Br 1091012 VUWIHMAMGPUAMO-FMIVXFBMSA-N 406.077 4.757 50 40 HJGB CCCC[C@@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12 2377061 ZIBOTBFOLPOYCJ-LLVKDONJSA-N 401.688 4.500 50 40 HJGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cc(-c2ccco2)nc2ccccc12 3325795 UKEQHYBDWXSBHV-DHRITJCHSA-N 407.376 4.860 50 40 HJGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(-c3ccc(F)cc3)o1)CO2 8306346 MALVKALVTOCSNM-XGFHMTJNSA-N 422.456 4.673 50 40 HJGB Cc1cc(C)n([C@@H](CCl)CN(Cc2cccc(C#N)c2)Cc2cccc(C#N)c2)n1 69630990 VXSMPHBDAKAWFE-DEOSSOPVSA-N 417.944 4.726 50 40 HJGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccccc1 408737852 YNWDKTYDSMZDDQ-YZSQISJMSA-N 402.494 4.666 50 40 HJGB O=C(N/N=C\c1cc(Br)c(Br)o1)Nc1ccccc1Cl 408851611 DGWWROMTFWYLAS-SOFYXZRVSA-N 421.476 4.614 50 40 HJGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@@H](C)CC)c(OC)c3)cc2c1 409188286 YHCYTHHPFGLGRK-YNNOXIHVSA-N 410.470 4.781 50 40 HJGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc(Cl)cc1 409192202 VPNDXVJNLUDABB-CIAFOILYSA-N 402.679 4.657 50 40 HJGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 409386347 MTYDMBBXJANIOM-BRJLIKDPSA-N 415.324 4.963 50 40 HJGB O=[N+]([O-])c1ccc(OC[C@H](Br)[C@H](Br)c2ccccc2)cc1 825926 JUIAONLVAAKGFE-LSDHHAIUSA-N 415.081 4.873 50 40 HJGB N#CC1=C(SCC(=O)NC2CC2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 2376486 ARRLPPUSODYNFY-IBGZPJMESA-N 413.930 4.621 50 40 HJGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCn4c3nc3ccccc34)c2C)cc1 3323711 DGJLXSIPQRPSGD-RCCKNPSSSA-N 421.504 4.706 50 40 HJGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NC3CC3)c3ccccc32)ccc1Cl 5894861 LLXUPZPDROGEDK-GHRIWEEISA-N 419.912 4.868 50 40 HJGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(C(=O)O)cc1 6472260 HKVRIYYYYHUBOO-MOSHPQCFSA-N 400.390 4.936 50 40 HJGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)n[nH]1 9334750 YZBWKPQUSGGAOY-AUEPDCJTSA-N 412.280 4.937 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 16389965 ZSTPKWDUKKASNX-UUILKARUSA-N 419.662 4.685 50 40 HJGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)c(OC)c1 35395361 RZNADVSZUJYROW-AFUMVMLFSA-N 424.884 4.700 50 40 HJGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 100229201 QMDZGLQDSFSNRZ-PCORZHFRSA-N 410.521 4.838 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccccc2F)c1 408886896 JSIBVDTWEZFCCO-CPNJWEJPSA-N 402.425 4.959 50 40 HJGB O=C(NNc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 3921209 QGQPSJCEUPQNHC-QZQOTICOSA-N 406.358 4.675 50 40 HJGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc2cc(Br)ccc2o1 5704937 LXNSGDIZBYCXJF-SSDVNMTOSA-N 409.239 4.818 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2ccccc2cc1OC 6453908 NGPHLSSLPCPNEL-WPWMEQJKSA-N 408.457 4.778 50 40 HJGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408796677 PNBZPTHJAIVRHT-UKTHLTGXSA-N 416.662 4.551 50 40 HJGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CCc2ccccc2)c2ccccc21 408875594 GGOZBSBSZBPERX-OGLMXYFKSA-N 406.489 4.644 50 40 HJGB CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 2270203 IWPNCTYRZBQCKW-INIZCTEOSA-N 415.276 4.775 50 40 HJGB CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 3273811 ZCKMDOCPWCTANN-LFIBNONCSA-N 422.282 4.772 50 40 HJGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 5720636 SFYRGRQGIQQZAU-UFWORHAWSA-N 402.075 4.528 50 40 HJGB C=CCSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1 21601442 FCHYDFUWXQTPLZ-NRFANRHFSA-N 421.522 4.851 50 40 HJGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 408789886 SIJVGASWMOFKGG-XSFVSMFZSA-N 414.461 4.828 50 40 HJGB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@@H]12 2038406279 AUKSBJWTRCVBGS-JRHAKDMOSA-N 409.574 4.571 50 40 HJGB Cc1cccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 4679407 TWPLUBBMIGCMKR-AFUMVMLFSA-N 408.885 4.757 50 40 HJGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1I 12465607 MVZLDLFYPUAVAQ-UKTHLTGXSA-N 415.234 4.630 50 40 HJGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 12578610 FDEAGECFDBYENC-JVWAILMASA-N 423.472 4.870 50 40 HJGB Cc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 33850797 OFSJZJDOGRNINC-OEAKJJBVSA-N 422.510 4.872 50 40 HJGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1Cl 408589143 KSWJOWQMBALEPN-YDZHTSKRSA-N 409.829 4.591 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C 409213306 UHYVCRVOIAOLLF-WQRHYEAKSA-N 418.409 4.983 50 40 HJGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OC 409313890 DIXCXCNKENWUHS-YSMPRRRNSA-N 422.456 4.576 50 40 HJGB COc1cc(OC)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl 409393219 VWCYCIVFKBFPEK-MFKUBSTISA-N 408.885 4.639 50 40 HJGB Cc1cc(SCC(=O)N/N=C/c2cccc(Br)c2)c2ccccc2n1 871070 UVBIEZARARQYDQ-SRZZPIQSSA-N 414.328 4.548 50 40 HJGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(Br)c1 1212028 NANVLJYPKAREHU-IZZDOVSWSA-N 406.623 4.556 50 40 HJGB BrC[C@H]1CN(c2ccccc2)C[C@H](CBr)N1c1ccccc1 1718062 QNWZNKFPHRJKSB-ROUUACIJSA-N 424.180 4.540 50 40 HJGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)c(C)c1 2109250 WYSOHZBKSQUQMK-VULFUBBASA-N 411.509 4.633 50 40 HJGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC 4812628 WBDFIHGAHYFVPD-SDNWHVSQSA-N 411.458 4.952 50 40 HJGB CC(=O)Oc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 20247375 UZEUZDSTHKRDRO-AFUMVMLFSA-N 416.502 4.565 50 40 HJGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 58914624 KISKSMOLWKMVDI-KSEXSDGBSA-N 416.264 4.651 50 40 HJGB O=C(NN=C1CCCCCCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 409184852 IHSRKJJEPXMGFR-UHFFFAOYSA-N 418.585 4.839 50 40 HJGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 409264498 KNOLPBAEOJWWJX-MFKUBSTISA-N 404.466 4.635 50 40 HJGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc2c1CC[C@H](C)C2 2708550 LRSFUMMADJVWFY-CVCOIXHCSA-N 400.525 4.657 50 40 HJGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 5879690 QPKMPXFWYCUWPR-WUXMJOGZSA-N 407.253 4.565 50 40 HJGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCC=C)c(OCC)c1 6355052 JJYNJYXCKGCXEG-IWIPYMOSSA-N 414.889 4.632 50 40 HJGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1 18173737 HXWDXJOLZXUMQA-HZHRSRAPSA-N 412.489 4.888 50 40 HJGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cc(Br)c2c(c1)OCO2 20885618 OTACVSWREFZIGY-AWNIVKPZSA-N 409.239 4.757 50 40 HJGB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccccc1C(F)(F)F 23739776 PVTWNYGGSLBIGY-YRNVUSSQSA-N 411.177 4.719 50 40 HJGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 208464104 CCBBIBXMEOIGGT-FSJBWODESA-N 412.877 4.644 50 40 HJGB CCOc1ccc(Cl)cc1/C=N\NC(=O)CSc1nc2ccccc2s1 409095069 BDZJUTRUNJLYCU-JMIUGGIZSA-N 405.932 4.591 50 40 HJGB COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1 900743 DNIXXEALXSNVNN-LJQANCHMSA-N 414.852 4.663 50 40 HJGB O=C(NNC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 4180110 VVMKLTRMTKASHI-UHFFFAOYSA-N 420.468 4.659 50 40 HJGB CSC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 4901549 UZNKCPQVMVPECB-MRXNPFEDSA-N 403.345 4.877 50 40 HJGB C=CCn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 13595668 ZHZGPNFKMICUJX-OEAKJJBVSA-N 410.315 4.591 50 40 HJGB COCc1cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OC 17083174 IPZOPVFFNRBJTQ-LICLKQGHSA-N 405.479 4.511 50 40 HJGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C 408810136 IIWWKENZRMQXLD-QDDJLWQGSA-N 403.320 4.616 50 40 HJGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965730 XKLADHWJTVCGRO-CCVNUDIWSA-N 423.394 4.920 50 40 HJGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1 1832381 CXJBEORKWNSMLM-ZVHZXABRSA-N 416.506 4.790 50 40 HJGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccc(Cl)c3)o2)cc1Cl 98087127 ACKJJOHZNDREBA-KSEXSDGBSA-N 417.248 4.804 50 40 HJGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 408800691 OOJBLZZOQHGVQP-LFYBBSHMSA-N 419.662 4.685 50 40 HJGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC(=O)c1ccc(C)cc1 408892083 AVOMEMMVVCIDHE-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1C 408967526 QRQYEZGIUMIZDJ-RPPGKUMJSA-N 408.864 4.831 50 40 HJGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 409199201 HMBJNDVBLNUKBC-WGLQLPMYSA-N 403.869 4.676 50 40 HJGB CCCCN1C(=O)/C(=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)c2ccccc21 5978662 JHNHHYCCNQTBFB-UDLCPXAISA-N 417.553 4.755 50 40 HJGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 8860867 HXLIYXDXBQNZDB-AFUMVMLFSA-N 422.868 4.640 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c([N+](=O)[O-])cc1OC 44027367 CYLPIIIQOJEELV-LFYBBSHMSA-N 411.801 4.537 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 59335084 HUKHFNAUIZLEGH-UNOMPAQXSA-N 400.438 4.856 50 40 HJGB N#C/C(=C\c1c(C[n+]2ccccc2)c(C#N)c2ccccn12)c1nc2ccccc2s1 96310924 VAYIOYHFYWERFN-NBVRZTHBSA-N 418.505 4.821 50 40 HJGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408743969 IUMQNCIFGORLLA-WJDWOHSUSA-N 412.873 4.858 50 40 HJGB N#C/C(=C/c1ccc(Sc2ccccc2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N 408753080 LHDCGSKDSKQORQ-QOWYYZCVSA-N 411.490 4.639 50 40 HJGB CCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(C)c2)cc1OCC 409004483 AFDPHLBTYUFMDA-XKZIYDEJSA-N 419.319 4.709 50 40 HJGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1cc(Cl)ccc1Cl 409382215 ZFPCDOWPBJKYNL-BRJLIKDPSA-N 421.372 4.773 50 40 HJGB COc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 1801190 FNKYTZVTGSGUJB-GJZGRUSLSA-N 413.109 4.533 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cc(Br)ccc2OC(C)C)c(C)c1 20195023 VUHBLAXUTUAUKM-WSDLNYQXSA-N 403.320 4.546 50 40 HJGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N 59432741 LNZSNRZPHCOSAP-FYJGNVAPSA-N 409.445 4.692 50 40 HJGB C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 100175375 KFLVYUCNGBMMDP-NFUMRCFGSA-N 401.850 4.785 50 40 HJGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 100839914 DGOAXMYGLRAFSJ-LGMDPLHJSA-N 405.479 4.972 50 40 HJGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 408743509 GIDRKIGMLDHLLQ-NDENLUEZSA-N 412.445 4.848 50 40 HJGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409341163 CYUSMJAWISQUQO-LGJNPRDNSA-N 411.864 4.620 50 40 HJGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3cc(C)ccc3nc2Cl)C(C#N)=C(N)O1 676577 HZTVFIDZXWCVRX-SFHVURJKSA-N 411.889 4.620 50 40 HJGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)[C@H](O)c1ccccc1 1105623 MVQHTWOZXLJTLC-JOWQQVNMSA-N 410.473 4.603 50 40 HJGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccs1 28350313 VAVZQMFDIKQBLA-LFVJCYFKSA-N 420.563 4.779 50 40 HJGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 59335536 XVAMBZSDQBAKFC-UVTDQMKNSA-N 418.365 4.617 50 40 HJGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)O 408533419 SDBXQJCCILQHQQ-MLPAPPSSSA-N 422.662 4.639 50 40 HJGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408791856 DLKQRHVYCUMGIL-NTEUORMPSA-N 401.249 4.560 50 40 HJGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 408851750 NLZLMVMWEIZBPW-QGOAFFKASA-N 417.396 4.859 50 40 HJGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc2ccccc12 408890928 INGAUEPOJZBGHN-WPWMEQJKSA-N 424.456 4.832 50 40 HJGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)o2)cc1 409063019 FPSBAPXHPABKCR-PCLIKHOPSA-N 420.465 4.676 50 40 HJGB N#C/C(=C\c1ccco1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 4672025 QFNLNRRVCCKGOW-XYOKQWHBSA-N 400.257 4.711 50 40 HJGB Cc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1C 6846174 OJXUUOMACNCMGM-MFKUBSTISA-N 414.534 4.910 50 40 HJGB CCn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21 8812679 LYCUREOTMFXIOC-WSDLNYQXSA-N 414.303 4.505 50 40 HJGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1 34197042 DGDHPUVDUZJNRN-LGJNPRDNSA-N 415.415 4.885 50 40 HJGB C#CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21 96860861 JHWULBUTLGKBQX-QINSGFPZSA-N 404.267 4.583 50 40 HJGB CC(C)N1c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223543983 AOMVLMYASIQATL-GCMSVZMUSA-N 408.502 4.859 50 40 HJGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccc2ccccc12 408980527 RRTFKSORPXDKSK-GQUZIAHASA-N 421.500 4.851 50 40 HJGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1 409057109 OZRCGRYMUHMASA-MOSHPQCFSA-N 400.390 4.936 50 40 HJGB N#CC(NC(=O)c1ccccc1)=C(Sc1ccc(N)cc1)Sc1ccc(N)cc1 526052239 IEFIJVYKSZOFIR-UHFFFAOYSA-N 418.547 4.858 50 40 HJGB N#C/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3300950 SJDNRCFHILTBBR-SDQBBNPISA-N 409.656 4.736 50 40 HJGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Br)cc1 5895356 IBXBEERETJWKGK-OWBHPGMISA-N 400.276 4.578 50 40 HJGB CC(=NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1ccc2ccccc2c1 254385713 NXTMNKLGQUJEDJ-UHFFFAOYSA-N 400.265 4.626 50 40 HJGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OC 408691846 UEVYNTCTHAMQON-NVNXTCNLSA-N 412.287 4.813 50 40 HJGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)o1 408812381 MVPJSFWMPXMMPW-RAXLEYEMSA-N 407.357 4.548 50 40 HJGB O=C(N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccncc1 408928216 XMQRTCUTWDMFHI-MSXFZWOLSA-N 400.265 4.731 50 40 HJGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Sc2ccccc2)o1 408999511 LLTXQJUERNNHIG-ZVHZXABRSA-N 403.463 4.508 50 40 HJGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12 409392844 SKNRGJBKPGDIJS-OGLMXYFKSA-N 407.473 4.567 50 40 HJGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(C)c2O)cc1 1319590 XZOWLGGQUBPWOO-XIJPWPHISA-N 419.319 4.506 50 40 HJGB O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 1602229 RECMEXFQKOOMMK-KBPBESRZSA-N 413.065 4.677 50 40 HJGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc(F)cc1 8812473 CDDJFTLTBBHAKM-DHRITJCHSA-N 416.412 4.501 50 40 HJGB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(=O)c1ccncc1 118917454 AUKSBJWTRCVBGS-FFZGKROSSA-N 409.574 4.571 50 40 HJGB